SCHEMBL953480

SCHEMBL953480

COc1cc(Cl)cc(C(=O)O)c1N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 1/20 0.50
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ERN1 O75460 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
AR P10275 1/20 0.40
GRIK1 P39086 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
SCHEMBL8208504 0.86 KDM4E (0.45) KDM4EALDH1A1GAAHPGDERN1
SCHEMBL1515035 0.84 KDM4E (0.58) KDM4EALDH1A1GAAHPGD
SCHEMBL1553779 0.81 ALDH1A1 (0.53) KDM4EALDH1A1LCKFYNCA1
SCHEMBL5428749 0.81 ALDH1A1 (0.62) KDM4EALDH1A1CYP3A4LCKFYN
SCHEMBL28704965 0.80 CYP3A4 (0.65) KDM4EALDH1A1CYP3A4CA1CA2
SCHEMBL6986948 0.80 KDM4E (0.41) KDM4EALDH1A1GAAHPGDERN1
SCHEMBL10968443 0.80 KDM4E (0.61) KDM4EALDH1A1LCKFYNCA1
SCHEMBL4868587 0.80 AKR1C4 (0.58) KDM4EALDH1A1CYP3A4LCKFYN
SCHEMBL10355676 0.80 KDM4E (0.71) KDM4EALDH1A1CYP3A4LCKFYN
SCHEMBL10579632 0.80 ALDH1A1 (0.51) KDM4EALDH1A1CYP3A4LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4617262-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Kyoto University (JP) 2025-09-17 EP disclosed
WO-2024101336-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 国立大学法人京都大学 2024-05-16 WO disclosed
EP-3716766-A1 BENZOXABOROLE COMPOUNDS AND FORMULATIONS THEREOF Boragen, Inc. (US) 2020-10-07 EP disclosed
US-9656971-B2 COMT inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
EP-2938600-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2017-01-25 EP disclosed
US-20160002177-A1 COMT INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
EP-2938600-A1 COMT INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-11-04 EP disclosed
WO-2014102233-A1 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-03 WO disclosed
US-8673897-B2 Benzodiazepinone compounds and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-18 US disclosed
US-8673897-B2 Benzodiazepinone compounds and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-18 US disclosed
EP-1937664-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2008-07-02 EP disclosed
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
US-7307094-B2 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2007-12-11 US disclosed
EP-1853597-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR Technology, Inc. (US) 2007-11-14 EP disclosed
WO-2007043677-A9 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2007-06-07 WO disclosed
WO-2007043677-A9 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2007-06-07 WO disclosed
WO-2007043677-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-19 WO disclosed
WO-2007043677-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-19 WO disclosed
WO-2006089100-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-24 WO disclosed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 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 (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-20160002177-A1 COMT INHIBITORS COMT, PNMT, SLC6A3 KDM4E 1308/4885ALDH1A1 92/4885CYP3A4 78/4885
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D HTR3E, BRS3, HTR3A KDM4E 3917/4885ALDH1A1 3208/4885CYP3A4 755/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A KDM4E 3917/4885ALDH1A1 3208/4885CYP3A4 755/4885

“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.