SCHEMBL1531229

SCHEMBL1531229

O=[N+]([O-])c1[c]nc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 4/20 0.35
TXNRD1 Q16881 3/20 0.33
LMNA P02545 2/20 0.33
GSR P00390 2/20 0.33
HSD17B10 Q99714 1/20 0.32
TSHR P16473 3/20 0.32
MAPT P10636 2/20 0.32
MERTK Q12866 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.31
ALOX15 P16050 1/20 0.31
OPRK1 P41145 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL9100291 0.75 GPR35 (0.39) ALDH1A1TDP1LMNATSHRMAPT
SCHEMBL135688 0.75 ALDH1A1 (0.43) ALDH1A1TDP1LMNAHSD17B10TSHR
SCHEMBL27587949 0.71 ALDH1A1 (0.31) ALDH1A1TDP1LMNAHSD17B10MAPT
SCHEMBL513103 0.71 S1PR4 (0.40) ALDH1A1TDP1TXNRD1GSRMAPT
SCHEMBL27740641 0.69 PIN1 (0.37) ALDH1A1TDP1LMNAKMT2AKDM4E
SCHEMBL126630 0.68
SCHEMBL6544139 0.67 ALDH1A1 (0.34) ALDH1A1LMNAMAPT
SCHEMBL6543843 0.67 ALDH1A1 (0.36) ALDH1A1TDP1TXNRD1LMNAMAPT
SCHEMBL5259407 0.67 KDM4E (0.47) ALDH1A1TDP1LMNAHSD17B10MAPT
SCHEMBL7408489 0.66 MAPK1 (0.40) ALDH1A1TDP1LMNAGSRHSD17B10

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015188777-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2015-12-17 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
EP-1884512-A1 PYRAZOLE-1-CARBOXYLIC ESTER DERIVATIVE, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING PYRAZOLE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2008-02-06 EP disclosed
CN-1255386-C Substituted fused heterocyclic compound SANKYO CO (JP) 2006-05-10 CN disclosed
US-6043282-A FUNGICIDES, PESTICIDES, INSECTICIDES, NEMATOCIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed
US-5633256-A Certain pyrimidinyloxy-phenyl acrylates, derivatives thereof and their fungicidal use ZENECA LIMITED (GB) 1997-05-27 US disclosed
US-5602076-A INSECTICIDES, NEMATOCIDES ZENECA LIMITED (GB) 1997-02-11 US disclosed
US-5470819-A Plant growth regulators, insecticides ZENECA LIMITED (GB) 1995-11-28 US disclosed
EP-0270683-B1 ARYLOXYUREAS, PROCESS FOR THEIR PREPARATION, AND THEIR USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-09-09 EP disclosed
US-5112385-A Useful in rice paddies KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-05-12 US disclosed
US-5057146-A CERTAIN 2-PYRIDYL OXY-PHENYL ACRYLATES HAVING FUNGICIDAL, INSECTICIDAL, NEMATOCIDAL AND PLANT GROWTH REGULATING ACTIVITY IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-15 US disclosed
US-4968341-A PRE-AND POSTEMERGENCE HERBICIDES KUMIAI CHEMICAL INDUSTRY CO. (JP) 1990-11-06 US disclosed
EP-0270683-A1 ARYLOXYUREAS, PROCESS FOR THEIR PREPARATION, AND THEIR USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-06-15 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 (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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 ALDH1A1 113/4885TDP1 1693/4885TXNRD1 1344/4885
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 ALDH1A1 963/4885TDP1 3647/4885TXNRD1 792/4885
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES WEE1, CYP51A1, CYP4B1 ALDH1A1 57/4885TDP1 1691/4885TXNRD1 1567/4885

“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.