SCHEMBL84386

SCHEMBL84386

CCC(=O)NCCN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA9 Q16790 3/20 0.55
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP2D6 P10635 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
PRMT8 Q9NR22 1/20 0.48
MAPT P10636 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL84849 0.98 ALDH1A1 (0.57) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL23722070 0.98 CA12 (0.53) CA12CA1CA2CA9ALDH1A1
Formic Acid SCHEMBL6608165 0.91 ALDH1A1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL6196093 0.89 SMN1; SMN2 (0.57) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL5230823 0.87 SMN1; SMN2 (0.56) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL10109056 0.86 MEN1 (0.48) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL15985650 0.86 HDAC2 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL84809 0.85 ALDH1A1 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL84807 0.83 ALDH1A1 (0.58) CA12CA1CA2CA9ALDH1A1
SCHEMBL8572773 0.83 MEN1 (0.56) ALDH1A1KDM4EKMT2AMEN1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO claimed
US-4326067-A FROM OXAZOLINE WITH AN AMINE THE DOW CHEMICAL COMPANY (US) 1982-04-20 US claimed
CN-111630058-B Glucopyranosyl derivative and use thereof 广东东阳光药业有限公司 2022-02-15 CN disclosed
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
US-9670166-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-06 US disclosed
EP-2953943-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-11-24 US disclosed
US-9290459-B1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-22 US disclosed
US-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-03-03 US disclosed
US-8933077-B2 Glucokinase activators ARRAY BIOPHARMA INC. (US) 2015-01-13 US disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 US disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 WO disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CA12 1969/4885CA1 2011/4885CA2 764/4885
US-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO CA12 1300/4885CA1 1263/4885CA2 1595/4885
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO CA12 1300/4885CA1 1263/4885CA2 1595/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CA12 1969/4885CA1 2011/4885CA2 764/4885
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 CA12 4330/4885CA1 3660/4885CA2 2092/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK CA12 4880/4885CA1 4779/4885CA2 3346/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE CA12 1969/4885CA1 2011/4885CA2 764/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CA12 1969/4885CA1 2011/4885CA2 764/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CA12 1969/4885CA1 2011/4885CA2 764/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 CA12 4437/4885CA1 2582/4885CA2 3911/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.