SCHEMBL4131936

SCHEMBL4131936

CSc1ccc(C(C)=O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CRHR1 P34998 1/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.39
CYP2A6 P11509 1/20 0.39
PKM P14618 2/20 0.39
HSD17B1 P14061 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ESRRA P11474 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL17295089 0.87 CRHR1 (0.40) ALDH1A1LMNACRHR1MAPTNPC1
SCHEMBL6519931 0.86 HPGD (0.42) ALDH1A1LMNAHPGDL3MBTL1MAPT
SCHEMBL13172637 0.85 CES2 (0.39) L3MBTL1MAPTTSHRMEN1KMT2A
SCHEMBL16961456 0.84 NPFFR2 (0.34) L3MBTL1MAPTTSHRMEN1KMT2A
SCHEMBL29503125 0.83 AR (0.53) AR
SCHEMBL2162295 0.81 TSHR (0.41) TSHRMEN1KMT2ASMN1; SMN2AR
SCHEMBL11807796 0.80 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL4568726 0.79 SRD5A2 (0.50) ALDH1A1HPGDL3MBTL1MAPTNPC1
SCHEMBL5830744 0.79 MAPT (0.48) ALDH1A1LMNAHPGDL3MBTL1MAPT
SCHEMBL15691294 0.79 SRD5A2 (0.46) ALDH1A1LMNAHPGDMAPTRAB9A

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
EP-3148972-B1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2019-08-21 EP disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 US disclosed
US-20090088584-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2009-04-02 US disclosed
EP-1986995-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2008-11-05 EP disclosed
WO-2007096034-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-08-30 WO disclosed
EP-0191496-B1 TRIAZINE DERIVATIVES, A PROCESS FOR PREPARING THE DERIVATIVES, AND HERBICIDES CONTAINING THE DERIVATIVES AS THE EFFECTIVE COMPONENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-10-31 EP disclosed
CN-1004204-B Herbicide containing triazine derivative as active ingredient 出光兴产株式会社 1989-05-17 CN disclosed
US-4680054-A Triazine derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-14 US disclosed
EP-0191496-A2 Triazine Derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-08-20 EP disclosed
US-3954871-A ANTIARRHYTHMIA, VASODILATOR, HYPOTENSIVE CONTINENTAL PHARMA (BE) 1976-05-04 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-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 ALDH1A1 1883/4885LMNA 2480/4885HPGD 19/4885
US-20090088584-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES PAH, CTRC, DDC ALDH1A1 825/4885LMNA 1886/4885HPGD 3894/4885

“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.