SCHEMBL448303

SCHEMBL448303

c1csc(Cn2cccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
DRD4 P21917 7/20 0.44
DRD3 P35462 4/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD5 P21918 2/20 0.41
DRD2 P14416 2/20 0.41
CYP2C19 P33261 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 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
SCHEMBL3842559 0.84 ALDH1A1 (0.45) HTTHPGDTSHRKDM4ETAAR1
SCHEMBL10646248 0.80 HTT (0.48) HTTHPGDTSHRKDM4ETAAR1
SCHEMBL9369294 0.77 CYP11B1 (0.55) MAPT
SCHEMBL10648832 0.74 HTT (0.43) HTTHPGDTSHRKDM4ETAAR1
SCHEMBL26124737 0.73 HTT (0.39) HTTHPGDTSHRKDM4ETAAR1
SCHEMBL9162891 0.72 TAAR1 (0.50) HPGDTSHRTAAR1ALDH1A1L3MBTL1
SCHEMBL924028 0.72 TSHR (0.54) HTTHPGDTSHRDRD4DRD3
SCHEMBL7050984 0.70 HTT (0.72) HTTTSHRKDM4EDRD4DRD3
SCHEMBL559559 0.69 TAAR1 (0.56) HTTHPGDTSHRTAAR1ALDH1A1
SCHEMBL2030841 0.69 TAAR1 (0.71) HTTHPGDTSHRTAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484589-A The useful compound of conditioning agent as TRPM8 赛诺米克斯公司 2018-09-04 CN disclosed
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
US-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
EP-2662453-A2 Detection and treatment of schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2013-11-13 EP disclosed
CN-102180824-B Method for preparing pyrrole derivative UNIV EAST CHINA SCIENCE & TECH 2012-11-14 CN disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
CN-102180824-A Method for preparing pyrrole derivative UNIV EAST CHINA SCIENCE & TECH 2011-09-14 CN disclosed
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US disclosed
EP-2189537-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-05-26 EP disclosed
CN-1121713-A serine derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-05-01 CN disclosed
EP-0128502-B1 SUBSTITUTED 6-(THIEN-2-YL)-3(2H)-PYRIDAZINONES AND PROCESSES FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1988-08-31 EP disclosed
EP-0128502-A1 Substituted 6-(thien-2-yl)-3(2H)-pyridazinones and processes for their preparation A. Nattermann & Cie. GmbH (DE) 1984-12-19 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 (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-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 HTT 4080/4885HPGD 117/4885TSHR 3502/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 HTT 4080/4885HPGD 117/4885TSHR 3502/4885

“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.