SCHEMBL4585584

SCHEMBL4585584

C=Cc1ccccc1OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
GAA P10253 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
SRC P12931 1/20 0.38
NFE2L2 Q16236 2/20 0.37
TFEB P19484 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL26106629 0.84 ALDH1A1 (0.55) KMT2AGAAPTGDR2MEN1ALDH1A1
SCHEMBL2791736 0.84 PTGDR2 (0.42) KMT2AGAAPTGDR2KDM4EALDH1A1
SCHEMBL2791739 0.82 PTGDR2 (0.44) KMT2AGAAPTGDR2KDM4EALDH1A1
SCHEMBL58004 0.81 PTGS2 (0.52) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL6555180 0.81 ALDH1A1 (0.42) KMT2AGAAPTGDR2MEN1KDM4E
SCHEMBL30706195 0.81 PTGS2 (0.52) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL4193610 0.81 NFE2L2 (0.41) KMT2AGAAPTGDR2MEN1KDM4E
SCHEMBL9054704 0.81 THRB (0.49) KMT2AGAAPTGDR2KDM4EALDH1A1
SCHEMBL27562951 0.80 PTGDR2 (0.40) KMT2AGAAPTGDR2MEN1KDM4E
Benzene SCHEMBL29242020 0.79 PTGS2 (0.55) KMT2APTGDR2MEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254093-A1 GPR35 Agonist Compounds NXERA PHARMA UK LIMITED (GB) 2024-08-01 US disclosed
CN-110204506-B CO 2 Synthesis of 1,4-dihydro-2H-3,1-benzoxazine-2-one derivative as C1 source 常州大学 2022-10-28 CN disclosed
CN-101066981-B Non-cyclic nucleoside phosphonate compound and its composition, prepn process and use SHANGHAI INST MATERIA MEDICA 2011-10-05 CN disclosed
EP-1385988-A4 SELECTIVE COVALENT-BINDING COMPOUNDS HAVING THERAPEUTIC DIAGNOSTIC AND ANALYTICAL APPLICATIONS SEMOREX INC (US) 2008-04-09 EP disclosed
US-20040121405-A1 Selective covalent-binding compounds having therapeutic diagnostic and analytical applications SEMOREX INC. 2004-06-24 US disclosed
EP-1385988-A2 SELECTIVE COVALENT-BINDING COMPOUNDS HAVING THERAPEUTIC DIAGNOSTIC AND ANALYTICAL APPLICATIONS Semorex Inc. (US) 2004-02-04 EP disclosed
WO-2002083708-A2 SELECTIVE COVALENT-BINDING COMPOUNDS HAVING THERAPEUTIC DIAGNOSTIC AND ANALYTICAL APPLICATIONS SEMOREX INC. (US) 2002-10-24 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 (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-20240254093-A1 GPR35 Agonist Compounds GPR35, GPR119, GPR68 KMT2A 3489/4885GAA 3289/4885PTGDR2 286/4885
US-20040121405-A1 Selective covalent-binding compounds having therapeutic diagnostic and analytical applications CD2BP2, HAVCR2, EPCAM KMT2A 2183/4885GAA 438/4885PTGDR2 4414/4885

“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.