SCHEMBL4066892

SCHEMBL4066892

Nc1ccccc1Cc1cc(=O)[nH][nH]1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.45
AR P10275 1/20 0.43
PDPK1 O15530 1/20 0.42
SOD1 P00441 9/20 0.40
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PARP1 P09874 1/20 0.36
FDPS P14324 1/20 0.34

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
SCHEMBL7626565 0.73 ALDH1A1 (0.49) DAOARPDPK1GAAMAPT
SCHEMBL29373097 0.71 CYP3A4 (0.53) ARGAAMAPTTDP1FDPS
SCHEMBL36019 0.71 CYP3A4 (0.53) ARGAAMAPTTDP1FDPS
SCHEMBL9719138 0.69 CYP3A4 (0.50) ARGAAMAPTTDP1FDPS
Hydrochloric Acid SCHEMBL11743462 0.69 CYP3A4 (0.50) ARGAAMAPTTDP1FDPS
Ammonia Solution, Strong SCHEMBL9517239 0.69 CYP3A4 (0.50) ARGAAMAPTTDP1FDPS
SCHEMBL1759362 0.69 CYP3A4 (0.50) ARGAAMAPTTDP1FDPS
SCHEMBL10477010 0.68 AR (0.46) ARPARP1FDPS
Hydrochloric Acid SCHEMBL1759361 0.67 CYP3A4 (0.47) ARGAAMAPTTDP1FDPS
SCHEMBL28774780 0.67 AR (0.42) ARPDPK1PARP1FDPS

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937046-A2 SUBSTITUTED 3-BENZYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR LOWERING THE SUGAR CONTENT IN BLOOD BASF AKTIENGESELLSCHAFT (DE) 1999-08-25 EP claimed
WO-1998020000-A2 SUBSTITUTED 3-BENZYLPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-05-14 WO claimed
US-7632830-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2009-12-15 US disclosed
US-7632830-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2009-12-15 US disclosed
US-7632830-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2009-12-15 US disclosed
EP-1346993-B1 LACTAM COMPOUNDS AND MEDICAL USE THEREOF AJINOMOTO KK (JP) 2009-10-21 EP disclosed
US-20080096862-A1 LACTAM COMPOUNDS AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2008-04-24 US disclosed
US-20080096862-A1 LACTAM COMPOUNDS AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2008-04-24 US disclosed
US-20080096862-A1 LACTAM COMPOUNDS AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2008-04-24 US disclosed
US-7326701-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2008-02-05 US disclosed
US-7326701-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2008-02-05 US disclosed
US-7326701-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2008-02-05 US disclosed
US-7153850-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2006-12-26 US disclosed
US-20060189597-A1 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2006-08-24 US disclosed
US-20040048847-A1 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO. INC (JP) 2004-03-11 US disclosed
EP-1346993-A1 LACTAM COMPOUNDS AND MEDICINAL USE THEREOF Ajinomoto Co., Inc. (JP) 2003-09-24 EP disclosed
US-6451734-B1 Substituted 3-benzylpyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
EP-0937046-A2 SUBSTITUTED 3-BENZYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR LOWERING THE SUGAR CONTENT IN BLOOD BASF AKTIENGESELLSCHAFT (DE) 1999-08-25 EP disclosed
WO-1998020000-A2 SUBSTITUTED 3-BENZYLPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-05-14 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-20060189597-A1 Lactam compounds and pharmaceutical use thereof SLC2A4, SLC2A8, SLC2A1 DAO 329/4885AR 2268/4885PDPK1 1747/4885
US-20040048847-A1 Lactam compounds and pharmaceutical use thereof SLC2A4, SLC2A8, SLC2A1 DAO 329/4885AR 2268/4885PDPK1 1747/4885
US-20080096862-A1 LACTAM COMPOUNDS AND PHARMACEUTICAL USE THEREOF SLC2A4, SLC2A8, SLC2A1 DAO 329/4885AR 2268/4885PDPK1 1747/4885

“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.