SCHEMBL5464080

SCHEMBL5464080

CC(=O)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.58
BRD4 O60885 1/20 0.58
DDO Q99489 1/20 0.58
PADI4 Q9UM07 2/20 0.53
IL4I1 Q96RQ9 1/20 0.52
SMYD3 Q9H7B4 2/20 0.51
KDM4E B2RXH2 7/20 0.50
TSHR P16473 3/20 0.50
CHEK1 O14757 1/20 0.50
KDR P35968 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FLT3 P36888 1/20 0.50
EGFR P00533 2/20 0.49
PIK3CA P42336 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 1/20 0.49
SRD5A2 P31213 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL29505966 1.00 DAO (0.58) DAOBRD4DDOPADI4IL4I1
SCHEMBL1367711 0.85 DAO (0.61) DAOBRD4DDOPADI4SMYD3
SCHEMBL31394 0.84 KDM4E (0.59) DAOBRD4DDOPADI4SMYD3
SCHEMBL29364659 0.84 KDM4E (0.59) DAOBRD4DDOPADI4SMYD3
Hydrochloric Acid SCHEMBL5027809 0.82 KDM4E (0.58) DAOBRD4DDOPADI4SMYD3
SCHEMBL29390425 0.82 DAO (0.58) DAOBRD4DDOPADI4SMYD3
SCHEMBL29537 0.82 DAO (0.58) DAOBRD4DDOPADI4SMYD3
SCHEMBL16627746 0.82 DAO (0.58) DAOBRD4DDOPADI4SMYD3
Fluoride SCHEMBL29664116 0.82 KDM4E (0.58) DAOBRD4DDOPADI4SMYD3
SCHEMBL16627751 0.82 DAO (0.58) DAOBRD4DDOPADI4IL4I1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
CN-110248934-B Heteroaryl PAD4 inhibitors 帕德罗科治疗公司 2022-05-24 CN disclosed
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 US disclosed
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 US disclosed
EP-3510025-A1 HETEROARYL INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2019-07-17 EP disclosed
WO-2018049296-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-03-15 WO disclosed
US-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 US disclosed
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
US-6822097-B1 THIAZOLE-SUBSTITUTED QUINOLINE DERIVATIVES; ANTICARCINOGENIC AGENTS, ANTISTROKE AGENTS; APOPTOSIS AND CELL PROLIFERATION TREATMENT; NERVOUS SYSTEM DISORDERS AMGEN, INC. 2004-11-23 US disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO disclosed
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 US disclosed
WO-2003006443-A2 2- 4-(NAPHTALIN-2-YL)-THIAZOL-2-YLAMINOCARBONYL BENZOIC ACID AND 2- 4-(NAPHTALIN-2-YL)-PYRIMIDIN-2-YLAMINOCARBONYL BENZOIC ACID AND ADDITIONAL COMPOUNDS SERVING AS TELOMERASE INHIBITORS FOR USE IN TUMOR THERAPY BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-23 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 (4 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-20070032518-A1 Compounds and methods of use BAX, BAD, CASP3 DAO 876/4885BRD4 2615/4885DDO 261/4885
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 DAO 912/4885BRD4 57/4885DDO 388/4885
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 DAO 1475/4885BRD4 3384/4885DDO 2914/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 DAO 912/4885BRD4 57/4885DDO 388/4885

“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.