SCHEMBL4795890

SCHEMBL4795890

CC(=O)c1cccc(NC(N)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
TDP1 Q9NUW8 1/20 0.64
POLB P06746 2/20 0.63
ALDH1A1 P00352 4/20 0.62
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
MAPK1 P28482 2/20 0.58
CREBBP Q92793 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CYP1A2 P05177 1/20 0.57
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.55

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
SCHEMBL2850002 0.86 MEN1 (0.67) KMT2AMEN1
SCHEMBL1884508 0.85 ALDH1A1 (0.73) KMT2AMEN1TDP1ALDH1A1NPC1
SCHEMBL6930688 0.85 KMT2A (0.62) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL5210059 0.85 KMT2A (0.62) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL24166928 0.84 ALDH1A1 (0.56) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL474709 0.84 KMT2A (0.70) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL5340030 0.84 MEN1 (0.89) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL308570 0.84 ALDH1A1 (0.77) KMT2AMEN1POLBALDH1A1NPC1
SCHEMBL3690365 0.83 MAPT (0.59) KMT2AMEN1ALDH1A1NPC1MAPT
Urea SCHEMBL307661 0.83 KMT2A (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
EP-1124811-A1 2-UREIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP claimed
EP-1005459-A1 SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 2000-06-07 EP claimed
WO-2000026203-A1 2-UREIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 WO claimed
WO-1999014197-A1 SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 1999-03-25 WO claimed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-20220151991-A1 SMALL MOLECULE GRB2 STABILIZERS FOR RAS MAP KINASE INHIBITION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-05-19 US disclosed
WO-2022003712-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-01-06 WO disclosed
EP-2422240-B1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KK (JP) 2016-12-21 EP disclosed
US-20080119503-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2008-05-22 US disclosed
US-7351698-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2008-04-01 US disclosed
US-20060241107-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME LLC 2006-10-26 US 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 (5 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-20220151991-A1 SMALL MOLECULE GRB2 STABILIZERS FOR RAS MAP KINASE INHIBITION GRB2, KRAS, HRAS KMT2A 2941/4885MEN1 2474/4885TDP1 3570/4885
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC KMT2A 3393/4885MEN1 3700/4885TDP1 985/4885
US-20060241107-A1 Androgen receptor modulators and methods of use thereof SHBG, FSHR, AR KMT2A 2891/4885MEN1 3103/4885TDP1 1351/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KMT2A 2853/4885MEN1 4132/4885TDP1 2738/4885
US-20080119503-A1 Androgen receptor modulators and methods of use thereof SHBG, FSHR, AR KMT2A 2891/4885MEN1 3103/4885TDP1 1351/4885

“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.