SCHEMBL6777847

SCHEMBL6777847

CC(=O)Nc1cc(C(C)=O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 4/20 0.44
▸ GAA P10253 4/20 0.44
▸ P2RX1 P51575 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GPR35 Q9HC97 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ALDH3A1 P30838 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
SCHEMBL21487311 0.81 HTT (0.52) HTTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL8423468 0.81 GPR35 (0.54) HTTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL8980342 0.79 HTT (0.61) HTTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL27303263 0.78 HTT (0.59) HTTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL11435996 0.78 HTT (0.49) HTTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL17786526 0.77 DBH (0.53) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL17786528 0.77 DBH (0.53) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL31392530 0.77 GPR35 (0.69) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL4132017 0.77 GPR35 (0.69) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL11067720 0.77 GPR35 (0.61) HTTSMN1; SMN2ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016083490-A1 COMPOUNDS FOR THE TREATMENT OF AMYLOID-ASSOCIATED DISEASES REMYND NV (BE) 2016-06-02 — — WO disclosed
US-7547708-B2 N-sulfamoyl-N′-benzopyranpiperidine compounds and uses thereof SOLVAY PHARMACEUTICALS, INC. (DE) 2009-06-16 — — US disclosed
US-20070117823-A1 N-sulfamoyl-N'-benzopyranpiperidine compounds and uses thereof SOLVAY PHARMACEUTICALSS GMBH (DE) 2007-05-24 — — US disclosed
US-20070117823-A1 N-sulfamoyl-N'-benzopyranpiperidine compounds and uses thereof SOLVAY PHARMACEUTICALSS GMBH (DE) 2007-05-24 — — US disclosed
WO-2007054580-A1 N-SULFAMOYL-N’-BENZOPYRANPIPERIDINES AS INHBITORS OF CARBONIC ANHYDRASES SOLVAY PHARMACEUTICALS GMBH (DE) 2007-05-18 — — WO disclosed
US-6683095-B2 ANTICARCINOGENIC AGENTS; ANTIPROLIFERATION AGENTS LG LIFE SCIENCES LTD. (KR) 2004-01-27 — — US disclosed
CN-1433410-A CDK inhibitors having 3-hydroxychromen-4-one structure LG LIFE SCIENCES CO LTD (KR) 2003-07-30 — — CN disclosed
US-20030125356-A1 Cdk inhibitors having 3-hydroxychromen-4-one structure LG LIFE SCIENCES LTD. (KR) 2003-07-03 — — US disclosed
EP-1280789-A1 CDK INHIBITORS HAVING 3-HYDROXYCHROMEN-4-ONE STRUCTURE LG Life Sciences Ltd. (KR) 2003-02-05 — — EP disclosed
WO-2001083469-A1 CDK INHIBITORS HAVING 3-HYDROXYCHROMEN-4-ONE STRUCTURE LG LIFE SCIENCES LTD. (KR) 2001-11-08 — — WO disclosed
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 — — 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-20030125356-A1 Cdk inhibitors having 3-hydroxychromen-4-one structure CDK4, CDK3, CDK6 HTT 2987/4885SMN1; SMN2 4162/4885ALDH1A1 1157/4885
US-20070117823-A1 N-sulfamoyl-N'-benzopyranpiperidine compounds and uses thereof SCN2A, NAPEPLD, SCN5A HTT 1462/4885SMN1; SMN2 744/4885ALDH1A1 605/4885

“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.

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