SCHEMBL4702204

SCHEMBL4702204

O=C1OC(Br)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
PTPRC P08575 3/20 0.47
S100A4 P26447 2/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CES1 P23141 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
CYP3A4 P08684 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MCL1 Q07820 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL30095404 1.00 ALDH1A1 (0.51) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL14979285 0.83 ALDH1A1 (0.42) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL6673213 0.81 ALDH1A1 (0.51) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL2532509 0.81 ALDH1A1 (0.51) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL29122847 0.76 ALDH1A1 (0.46) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL17075818 0.74 CYP1A2 (0.47) PTPRCS100A4CES1CYP3A4TDP1
SCHEMBL29440609 0.74 CYP1A2 (0.47) PTPRCS100A4CES1CYP3A4TDP1
SCHEMBL29440612 0.74 CYP1A2 (0.47) PTPRCS100A4CES1CYP3A4TDP1
SCHEMBL15256960 0.74 ALDH1A1 (0.44) ALDH1A1PTPRCS100A4BCHEACHE
SCHEMBL17737232 0.74 ALDH1A1 (0.44) ALDH1A1PTPRCS100A4BCHEACHE

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
CN-109456308-B Heterocyclic compounds as ASK inhibitors and their use 南京圣和药业股份有限公司 2022-11-29 CN disclosed
CN-109456308-A Heterocyclic compound and its application as ASK inhibitor 南京圣和药业股份有限公司 2019-03-12 CN disclosed
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
US-7432263-B2 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA, S.R.L. (IT) 2008-10-07 US disclosed
EP-1427708-B1 AMINO-PHTHALAZINONE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER ITALIA SRL (IT) 2008-09-10 EP disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA S.R.L. (IT) 2005-01-27 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1427708-A1 AMINO-PHTHALAZINONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pharmacia Italia S.p.A. (IT) 2004-06-16 EP disclosed
US-20030073692-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-17 US disclosed
WO-2003014090-A1 AMINO-PHTHALAZINONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP disclosed
EP-1133486-A2 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000032584-A2 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AKTIENGESELLSCHAFT (DE) 2000-06-08 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 (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-20030073692-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K15, MAP3K5 ALDH1A1 4569/4885PTPRC 630/4885S100A4 3144/4885
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC ALDH1A1 1345/4885PTPRC 3522/4885S100A4 4089/4885
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K1, MAP3K15 ALDH1A1 3566/4885PTPRC 746/4885S100A4 2494/4885

“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.