SCHEMBL3500587

SCHEMBL3500587

O=C(O)c1nn(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 2/20 0.70
CYP2C9 P11712 2/20 0.70
NPSR1 Q6W5P4 2/20 0.70
TSHR P16473 1/20 0.70
PMP22 Q01453 1/20 0.70
HIF1A Q16665 1/20 0.70
PTGER4 P35408 11/20 0.70
MCL1 Q07820 1/20 0.54
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.47

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
SCHEMBL30493974 1.00 CYP1A2 (0.70) CYP1A2CYP3A4CYP2D6CYP2C9NPSR1
SCHEMBL1225871 0.91 PTGER4 (0.66) CYP1A2CYP3A4CYP2D6CYP2C9NPSR1
SCHEMBL29805498 0.91 PTGER4 (0.66) CYP1A2CYP3A4CYP2D6CYP2C9NPSR1
SCHEMBL14584207 0.89 PTGER4 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9NPSR1
SCHEMBL11316855 0.88 PTGER4 (0.71) CYP1A2CYP3A4CYP2D6CYP2C9NPSR1
SCHEMBL24273625 0.87 PTGER4 (0.62) CYP1A2CYP3A4CYP2D6CYP2C9NPSR1
SCHEMBL1218213 0.87 PTGER4 (0.71) CYP1A2CYP3A4CYP2D6CYP2C9NPSR1
SCHEMBL30493910 0.87 PTGER4 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9NPSR1
SCHEMBL24273636 0.87 PTGER4 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9NPSR1
SCHEMBL11317467 0.87 PTGER4 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4282237-A Method with substituted 1-benzyl-1H-indazole-3-carboxylic acids for interrupting pregnancy in mammals AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1981-08-04 US claimed
US-20240254089-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2024-08-01 US disclosed
EP-4213839-A2 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-07-26 EP disclosed
CN-116438162-A Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2023-07-14 CN disclosed
WO-2022061008-A2 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-03-24 WO disclosed
WO-2022061008-A2 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-03-24 WO disclosed
US-9738610-B2 Indazole derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-08-22 US disclosed
US-9738610-B2 Indazole derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-08-22 US disclosed
CN-106366078-A Indazole-oxadiazole derivative, medicinal composition containing derivative, and application of derivative in tumor prevention 浙江大学 2017-02-01 CN disclosed
US-20160369237-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECH INC (US) 2016-12-22 US disclosed
US-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-10 US disclosed
US-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-10 US disclosed
US-20100184033-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY Lineage Cell Therapeutics, Inc. 2010-07-22 US disclosed
US-20080226601-A1 Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods UNIVERSITY OF ROCHESTER (US) 2008-09-18 US disclosed
US-20080070303-A1 Using myocardial and/or muscle progenitor cells as modeling tool in tissue engineering; regenerative medicine and organ replacement ADVANCED CELL TECHNOLOGY 2008-03-20 US disclosed
US-4282237-A Method with substituted 1-benzyl-1H-indazole-3-carboxylic acids for interrupting pregnancy in mammals AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1981-08-04 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 (2 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-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF CYP11B1, HSP90B1, CYP1B1 CYP1A2 11/4885CYP3A4 23/4885CYP2D6 51/4885
US-20240254089-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 CYP1A2 2920/4885CYP3A4 1016/4885CYP2D6 1988/4885

“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.