SCHEMBL458513

SCHEMBL458513

C=CCN(CC=C)Cc1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
KDM4E B2RXH2 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2420476 0.85 FOLH1 (0.51) FOLH1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL89060 0.80 FOLH1 (0.55) FOLH1KDM4EKMT2ASMN1; SMN2ALDH1A1
Benzene SCHEMBL27083018 0.80 FOLH1 (0.55) FOLH1KDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL11667015 0.79 ALDH1A1 (0.56) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL15392116 0.79 TSHR (0.50) FOLH1KDM4EKMT2AALDH1A1TSHR
SCHEMBL7570929 0.79 FOLH1 (0.50) FOLH1KDM4EALDH1A1HTTLMNA
SCHEMBL27715449 0.79 TSHR (0.50) FOLH1KDM4EKMT2AALDH1A1TSHR
Potassium SCHEMBL16531822 0.78 FOLH1 (0.53) FOLH1KDM4EKMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7974299 0.78 FOLH1 (0.53) FOLH1KDM4EKMT2ASMN1; SMN2ALDH1A1
Ammonia Solution, Strong SCHEMBL16531812 0.78 FOLH1 (0.53) FOLH1KDM4EKMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
EP-1906945-B1 HCV INHIBITORS VIROBAY INC (US) 2015-08-05 EP disclosed
US-20150191459-A1 CATHEPSIN INHIBITORS VIROBAY, INC. 2015-07-09 US disclosed
EP-2078009-B1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI SA (FR) 2015-03-18 EP disclosed
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 EP disclosed
EP-2079683-B1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-01-21 EP disclosed
US-20140256698-A1 CATHEPSIN INHIBITORS VIROBAY, INC. 2014-09-11 US disclosed
US-20140221478-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2014-08-07 US disclosed
EP-2361243-B9 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2014-06-11 EP disclosed
US-8748649-B2 Di-fluoro containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2014-06-10 US disclosed
WO-1999054321-A1 SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 1999-10-28 WO disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1999033789-A1 SUBSTITUTED β-ALANINES AVENTIS PHARMA LIMITED (GB) 1999-07-08 WO disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO disclosed
WO-1998032734-A1 SUBSTITUTED β-THIOCARBOXYLIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-30 WO disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO disclosed
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed
WO-1996031476-A1 AROMATIC HYDROXYETHERS RHONE-POULENC RORER LIMITED (GB) 1996-10-10 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 (4 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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 FOLH1 2441/4885KDM4E 3577/4885KMT2A 3605/4885
US-20150191459-A1 CATHEPSIN INHIBITORS CTSF, CTSZ, CTSV FOLH1 166/4885KDM4E 2762/4885KMT2A 3533/4885
US-20140221478-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSF, CTSZ, CTSS FOLH1 235/4885KDM4E 3298/4885KMT2A 3752/4885
US-20140256698-A1 CATHEPSIN INHIBITORS CTSF, CTSZ, CTSV FOLH1 166/4885KDM4E 2762/4885KMT2A 3533/4885

“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.