SCHEMBL1759178

SCHEMBL1759178

O=C(O)c1cc(-c2cccnc2)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 1/20 0.57
KMO O15229 2/20 0.54
HPGDS O60760 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
CYP2A6 P11509 3/20 0.47
CYP2B6 P20813 3/20 0.47
CYP2E1 P05181 2/20 0.47
ALK Q9UM73 1/20 0.46
GPR35 Q9HC97 1/20 0.46
BTK Q06187 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
Hydrochloric Acid SCHEMBL71016 0.98 CYP3A4 (0.55) CYP3A4ALDH1A1CYP1A2KMOHPGDS
SCHEMBL3417205 0.86 CYP3A4 (0.55) CYP3A4ALDH1A1CYP1A2HPGDSMKNK1
SCHEMBL69492 0.83 MEN1 (0.58) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL3418973 0.82 ALDH1A1 (0.51) CYP3A4ALDH1A1CYP1A2HPGDSKMT2A
SCHEMBL12664226 0.82 CYP3A4 (0.51) CYP3A4ALDH1A1CYP1A2KMOHPGDS
SCHEMBL12647964 0.82 CYP1A2 (0.51) CYP3A4ALDH1A1CYP1A2HPGDSCYP2A6
Hydrochloric Acid SCHEMBL1221862 0.82 MEN1 (0.57) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL71764 0.81 EGLN3 (0.49) CYP3A4ALDH1A1CYP1A2HPGDSKMT2A
SCHEMBL3519352 0.80 MEN1 (0.55) MEN1KMT2APOLBMAPTBTK
SCHEMBL2818771 0.79 KMT2A (0.57) CYP3A4ALDH1A1CYP1A2HPGDSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US claimed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US claimed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO claimed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US claimed
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 EP disclosed
EP-3885340-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2021-09-29 EP disclosed
US-11046713-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2021-06-29 US disclosed
EP-3369732-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2021-05-26 EP disclosed
US-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 US disclosed
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2020-09-24 US disclosed
US-10711013-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2020-07-14 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
WO-2009055437-A9 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARM CORP (US) 2009-07-23 WO disclosed
WO-2009055437-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARMACEUTICALS CORPORATION (US) 2009-04-30 WO disclosed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP 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 (6 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 CYP3A4 2281/4885ALDH1A1 969/4885CYP1A2 1016/4885
US-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC CYP3A4 2842/4885ALDH1A1 934/4885CYP1A2 2091/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 CYP3A4 2225/4885ALDH1A1 784/4885CYP1A2 1039/4885
US-10711013-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG CYP3A4 500/4885ALDH1A1 570/4885CYP1A2 316/4885
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG CYP3A4 500/4885ALDH1A1 570/4885CYP1A2 316/4885
US-11046713-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG CYP3A4 500/4885ALDH1A1 570/4885CYP1A2 316/4885

“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.