SCHEMBL1728679

SCHEMBL1728679

CN(C)CCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.65
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CHRNB2 P17787 1/20 0.57
CHRNA4 P43681 1/20 0.57
GAA P10253 1/20 0.56
HRH3 Q9Y5N1 2/20 0.56
LSS P48449 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
MAPT P10636 1/20 0.52

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
SCHEMBL1962562 0.92 KCNH2 (0.68) KCNH2CHRNB2CHRNA4GAAHRH3
SCHEMBL17609116 0.91 PTGS2 (0.65) KCNH2KDM4EALDH1A1SMN1; SMN2CHRNB2
SCHEMBL19327352 0.91 PTGS2 (0.65) KCNH2KDM4EALDH1A1SMN1; SMN2CHRNB2
Hydrochloric Acid SCHEMBL3570004 0.90 KCNH2 (0.67) KCNH2CHRNB2CHRNA4GAAHRH3
SCHEMBL8789479 0.85 KCNH2 (0.51) KCNH2ALDH1A1SMN1; SMN2CHRNB2CHRNA4
SCHEMBL9365160 0.85 LSS (0.73) KCNH2KDM4ESMN1; SMN2GAALSS
SCHEMBL491598 0.84 KCNH2 (0.68) KCNH2KDM4EALDH1A1DRD2DRD4
SCHEMBL9570575 0.84 DRD2 (0.65) KCNH2ALDH1A1SMN1; SMN2HRH3DRD2
SCHEMBL11883744 0.83 KCNH2 (0.59) KCNH2ALDH1A1SMN1; SMN2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL10425864 0.83 KCNH2 (0.67) KCNH2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
CN-104016879-B Dibenzoyl amine compound with anti-tumor activity and its preparation method and application XI'AN JIAOTONG UNIVERSITY (CN) 2016-02-24 CN disclosed
CN-103980153-B Dibenzoyl amine compound with anti-tumor activity and its preparation method and application XI'AN JIAOTONG UNIVERSITY (CN) 2016-01-20 CN disclosed
CN-104016879-A Diphenyl amide compound with anti-tumor activity as well as preparation method and application of diphenyl amide compound UNIV XI AN JIAOTONG 2014-09-03 CN disclosed
CN-103980153-A Biphenyl amide compound with antitumor activity as well as preparation method and application thereof UNIV XI AN JIAOTONG 2014-08-13 CN disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
EP-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed
US-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 US disclosed
WO-2004012648-A2 SUBSTITUTED DIARYL HETEROCYCLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 WO disclosed
WO-2004011438-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-05 WO disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 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 (3 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 KCNH2 2422/4885KDM4E 2574/4885ALDH1A1 370/4885
US-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments GPR119, GLP1R, SLC5A2 KCNH2 652/4885KDM4E 1242/4885ALDH1A1 1096/4885
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 KCNH2 3538/4885KDM4E 1147/4885ALDH1A1 243/4885

“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.