SCHEMBL57436

SCHEMBL57436

O=[C]Nc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
MAPT P10636 5/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CISD1 Q9NZ45 1/20 0.44
HSP90AA1 P07900 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL630874 0.84 MEN1 (0.42) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL2295342 0.78 KMT2A (0.53) MEN1KMT2AMAPTLMNAHTT
SCHEMBL1270467 0.78 MAPT (0.48) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2074385 0.77 TSHR (0.42) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1172183 0.76 CYP1A2 (0.54) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL2096799 0.74 SIGMAR1 (0.40)
SCHEMBL515009 0.74 DDX3X (0.53) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2089828 0.74 RAPGEF4 (0.47) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL5476577 0.74 CYP3A4 (0.52) MEN1KMT2AMAPTLMNAHTT
SCHEMBL1189638 0.74 MEN1 (0.50) MEN1KMT2ARAB9ANPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44048-E1 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-YL]benzenesulfonamide for the treatment of inflammation or an inflammation-associated disorder G.D. SEARLE LLC (US) 2013-03-05 US claimed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US claimed
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds NOVARTIS AG (CH) 2010-06-24 US claimed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
EP-2042491-A1 Pyridazines as fungicides Bayer CropScience AG (DE) 2009-04-01 EP claimed
CN-101365680-A 3, 5-substituted piperidine compounds as renin inhibitors NOVARTIS AG (CH) 2009-02-11 CN claimed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP claimed
CN-101223140-A Piperidine derivatives useful in the diagnostic and therapeutic treatment of diseases depending on renin activity NOVARTIS AG (CH) 2008-07-16 CN claimed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP claimed
US-5563129-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-08 US claimed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP claimed
WO-1996003385-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO claimed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US claimed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO claimed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP claimed
EP-0234729-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-12-27 EP claimed
EP-0234729-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-02 EP claimed
US-4645539-A WEATHERFASTNESS, CONDENSATION WITH BARBITURIC ACID BASF AKTIENGESELLSCHAFT (DE) 1987-02-24 US claimed
EP-0132818-B1 ISOINDOLINE PIGMENTS HAVING A STRONG COLOURING CAPACITY, THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1986-12-30 EP claimed

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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 MEN1 2386/4885KMT2A 3192/4885MAPT 1008/4885
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds REN, ACE, PIGO MEN1 2834/4885KMT2A 2912/4885MAPT 1607/4885

“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.