SCHEMBL1021835

SCHEMBL1021835

Cc1cc(Cl)cc(Cl)c1N=C=S

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
AHR P35869 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1457304 0.85 ALDH1A1 (0.39) GABRA1GABRB2AHRALDH1A1CYP3A4
SCHEMBL17649223 0.81 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL17650573 0.81 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL7117793 0.78 AR (0.36) GABRA1GABRB2
SCHEMBL17648937 0.76 GABRA1 (0.33) GABRA1GABRB2ALDH1A1CYP3A4TSHR
SCHEMBL248024 0.75 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL6151901 0.74 RAPGEF4 (0.41) RAPGEF4AHRALDH1A1CYP3A4TSHR
SCHEMBL11758054 0.72 RAPGEF4 (0.39) RAPGEF4AHRALDH1A1CYP3A4TSHR
SCHEMBL11758059 0.72 RAPGEF4 (0.39) RAPGEF4AHRALDH1A1CYP3A4TSHR
SCHEMBL1457069 0.72 GABRA1 (0.50) GABRA1GABRB2ALDH1A1CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3296309-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2019-08-07 EP disclosed
EP-3296309-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit Gent (BE) 2018-03-21 EP disclosed
EP-2877480-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2017-09-06 EP disclosed
US-9321796-B2 Galactopyranosyl derivatives useful as medicaments UNIVERSITEIT GENT (BE) 2016-04-26 US disclosed
US-20150210728-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS AMBICION CO., LTD. (JP) 2015-07-30 US disclosed
EP-2877480-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit van Gent (BE) 2015-06-03 EP disclosed
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
WO-2014001204-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIVERSITEIT GENT (BE) 2014-01-03 WO disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO disclosed
US-20080292585-A1 Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom UNIBIOSCREEN S.A. (BE) 2008-11-27 US disclosed
EP-1960365-A2 AZONAFIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM Unibioscreen S.A. (BE) 2008-08-27 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US disclosed
WO-2007054292-A2 AZONAFIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIBIOSCREEN S.A. (BE) 2007-05-18 WO 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-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP GABRA1 2786/4885GABRB2 2428/4885RAPGEF4 3409/4885
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 GABRA1 727/4885GABRB2 780/4885RAPGEF4 2033/4885
US-20080292585-A1 Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom AADAC, NOTUM, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GABRA1 2266/4885GABRB2 2346/4885RAPGEF4 3913/4885
US-20150210728-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS B3GAT3, GALR3, ST6GAL1 GABRA1 3069/4885GABRB2 3018/4885RAPGEF4 4004/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP GABRA1 2786/4885GABRB2 2428/4885RAPGEF4 3409/4885

“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.