SCHEMBL563227

SCHEMBL563227

CCCCCNc1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
KCNH3 Q9ULD8 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
ADRA2A P08913 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SOAT1 P35610 2/20 0.35
TSHR P16473 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
S1PR2 O95136 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCAR3 P49019 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
SCHEMBL13518610 0.98 ABL1 (0.45) ABL1KCNH3ALDH1A1MAPTNPC1
SCHEMBL6193428 0.86
SCHEMBL18906080 0.81 ALDH1A1 (0.51) KCNH3ALDH1A1MAPTTSHRGPR84
SCHEMBL9188922 0.81 MARS1 (0.40) ALDH1A1MAPTSIGMAR1
SCHEMBL9190311 0.81 MARS1 (0.40) ALDH1A1MAPTSIGMAR1
SCHEMBL9188361 0.81 MARS1 (0.40) ALDH1A1MAPTSIGMAR1
SCHEMBL18906062 0.79 ALDH1A1 (0.50) KCNH3ALDH1A1MAPTTSHRGPR84
SCHEMBL9190536 0.78 MARS1 (0.38) ALDH1A1MAPTNPC1SIGMAR1
SCHEMBL18906084 0.78 TAAR1 (0.41) ALDH1A1MAPTHRH3
SCHEMBL1492016 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083330-A1 DRAK2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 百极优棠(广东)医药科技有限公司 2023-05-19 WO disclosed
US-20120035199-A9 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-02-09 US disclosed
EP-1888592-B1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-04-06 EP disclosed
US-20110034500-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-02-10 US disclosed
US-7799798-B2 Spiroheterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-09-21 US disclosed
US-20080103151-A9 Heterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-05-01 US disclosed
EP-1888592-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-02-20 EP disclosed
EP-1879892-A2 2-PYRROLIDONE DERIVATIVES AND THEIR USES FOR THE TREATMENT OF INFLAMMATORY CONDITIONS AND PAIN XENON PHARMACEUTICALS INC. (CA) 2008-01-23 EP disclosed
US-20060258659-A1 Heterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-16 US disclosed
US-20060252758-A1 Spiroheterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-09 US disclosed
WO-2006113875-A2 2 - PYRROLIDONE DERIVATIVES AND THEIR USES FOR THE TREATMENT OF INFLAMMATORY CONDITIONS AND PAIN XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO disclosed
WO-2006110654-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-19 WO disclosed
JP-2003306487-A METHOD FOR PRODUCING 3-ACYLAMINO-THIOPHENE DERIVATIVE MITSUI CHEMICALS INC 2003-10-28 JP disclosed
EP-0737682-B1 Substituted thiophene derivative and agricultural and horticultural fungicide containing the same as active ingredient MITSUI CHEMICALS INC (JP) 2002-01-09 EP disclosed
US-5747518-A EFFECTIVE AGAINST CHEMICAL RESISTANT FUNGI; NONPHYTOTOXIC TO CROPS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-05-05 US disclosed
EP-0737682-A1 Substituted thiophene derivative and agricultural and horticultural fungicide containing the same as active ingredient MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-10-16 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 (5 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-20060258659-A1 Heterocyclic compounds and their uses as therapeutic agents TRPV1, TRPV3, TRPV5 ABL1 1656/4885KCNH3 57/4885ALDH1A1 807/4885
US-20060252758-A1 Spiroheterocyclic compounds and their uses as therapeutic agents SCN3A, SCN1B, SCN2B ABL1 3648/4885KCNH3 14/4885ALDH1A1 1435/4885
US-20080103151-A9 Heterocyclic compounds and their uses as therapeutic agents TRPV1, TRPV3, TRPV5 ABL1 1656/4885KCNH3 57/4885ALDH1A1 807/4885
US-20110034500-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS SCN3A, SCN1B, SCN2B ABL1 3605/4885KCNH3 27/4885ALDH1A1 1200/4885
US-20120035199-A9 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS SCN3A, SCN1B, SCN2B ABL1 3605/4885KCNH3 27/4885ALDH1A1 1200/4885

“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.