SCHEMBL6990230

SCHEMBL6990230

O=[N+]([O-])c1cccc2c(Cl)noc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GPR35 Q9HC97 2/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.40
NOS1 P29475 2/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
NOS2 P35228 1/20 0.40
BLM P54132 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL6999321 0.80 TDP1 (0.50) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6963457 0.76 TDP1 (0.46) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3274689 0.75 TDP1 (0.52) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6993650 0.72 CYP1A2 (0.44) CYP1A2GAASMN1; SMN2
SCHEMBL25597908 0.72 CYP1A2 (0.56) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL31290996 0.71 GPR35 (0.52) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8119955 0.71 EPHX2 (0.45) TDP1ALDH1A1KMT2APOLBMAPT
SCHEMBL1121330 0.70 MEN1 (0.46) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL30917304 0.69 ENPP3 (0.33) ALDH1A1KMT2ACYP1A2SMN1; SMN2
SCHEMBL57166 0.69 TDP1 (1.00) TDP1ALDH1A1GPR35POLBNOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115976586-A Positive and negative pulse electrolytic nickel-tungsten alloy solution, preparation method, electroplating method and nickel-tungsten alloy coating 昆山一鼎工业科技有限公司 2023-04-18 CN claimed
CN-115976586-B Forward and reverse pulse electrolytic nickel-tungsten alloy solution, preparation method, electroplating method and nickel-tungsten alloy coating 昆山一鼎工业科技有限公司 2025-03-14 CN disclosed
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed
CN-115976586-A Positive and negative pulse electrolytic nickel-tungsten alloy solution, preparation method, electroplating method and nickel-tungsten alloy coating 昆山一鼎工业科技有限公司 2023-04-18 CN disclosed
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
CN-1162957-A Isoxazole derivatives SANKYO CO (JP) 1997-10-22 CN disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 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 (1 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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 TDP1 1068/4885ALDH1A1 4330/4885MEN1 1784/4885

“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.