SCHEMBL2204601

SCHEMBL2204601

c1ccc(-c2cnns2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
RUNX1 Q01196 2/20 0.44
CBFB Q13951 2/20 0.44
GFER P55789 1/20 0.44
TDO2 P48775 2/20 0.38
KDR P35968 2/20 0.37
RAB9A P51151 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
NPC1 O15118 3/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL3190275 0.83
SCHEMBL10632820 0.80 CYP2A6 (0.56) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL9134795 0.80 IDO1 (0.42) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL9134655 0.80 ALDH1A1 (0.58) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL22335464 0.79 MAPT (0.43) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL9134467 0.78 KMO (0.51) ALDH1A1GAAHPGDRAB9ANPC1
SCHEMBL9133922 0.77 MAPT (0.60) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL9134868 0.77 GAA (0.48) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL6721322 0.77 ALDH1A1 (0.41) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL9134077 0.77 ALDH1A1 (0.41) ALDH1A1GAAMAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110204560-A 1,2,3- thiadiazole drug molecule with tyrosine-kinase enzyme inhibition activity and its preparation method and application 河南龙湖生物技术有限公司 2019-09-06 CN disclosed
EP-1952918-B1 METHOD FOR PRODUCING METAL PARTICLE DISPERSION, CONDUCTIVE INK USING METAL PARTICLE DISPERSION PRODUCED BY SUCH METHOD, AND CONDUCTIVE COATING FILM TOYO INK MFG CO (JP) 2013-05-22 EP disclosed
US-8440110-B2 Method for producing metal particle dispersion, conductive ink using metal particle dispersion produced by such method, and conductive coating film TOYO INK MFG CO., LTD. (JP) 2013-05-14 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-20110175040-A1 METHOD FOR PRODUCING METAL PARTICLE DISPRESION, CONDUCTIVE INK USING METAL PARTICLE DISPERSION PRODUCED BY SUCH METHOD, AND CONDUCTIVE COATING FILM TOYO INK MFG CO., LTD. (JP) 2011-07-21 US disclosed
US-7981327-B2 Method for producing metal particle dispersion, conductive ink using metal particle dispersion produced by such method, and conductive coating film TOYO INK MFG. CO. LTD. (JP) 2011-07-19 US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
CN-101171698-B Organic electroluminescent element MATSUSHITA ELECTRIC WORKS LTD 2010-05-19 CN disclosed
US-20090258202-A1 Method for Producing Metal Particle Dispersion, Conductive Ink Using Metal Particle Dispersion Produced by Such Method, and Conductive Coating Film GVP GESELLSCHAFT ZUR VERMARKTUNG DER PORENBRENNERTECHNIK MBH (DE) 2009-10-15 US disclosed
WO-2009089502-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-16 WO disclosed
WO-2004109009-A1 ANIONIC AZO DYES AND THE METAL COMPLEXES THEREOF OFR COLOURING LEATHER BASF AKTIENGESELLSCHAFT (DE) 2004-12-16 WO disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP 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 (1 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-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 ALDH1A1 4132/4885GAA 1383/4885MAPT 2274/4885

“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.