SCHEMBL1019702

SCHEMBL1019702

Cc1cccc(C(C)C)c1N=C=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.43
GABRB2 P47870 3/20 0.43
MIF P14174 3/20 0.38
LMNA P02545 3/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
HTR2B P41595 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL1457748 0.88 GABRA1 (0.48) GABRA1GABRB2MIFLMNAGABRG2
SCHEMBL11416327 0.85 GABRA1 (0.40) GABRA1GABRB2LMNAGABRG2GABRB3
SCHEMBL24228574 0.83 GABRA1 (0.39) GABRA1GABRB2LMNAGABRG2GABRB3
SCHEMBL11416557 0.83 GABRA1 (0.46) GABRA1GABRB2MIFTSHRP2RY6
SCHEMBL944147 0.82 GABRA1 (0.54) GABRA1GABRB2MIFTSHRCYP1A2
SCHEMBL1149066 0.81 GABRA1 (0.44) GABRA1GABRB2LMNAGABRG2GABRB3
SCHEMBL330977 0.81 GABRA1 (0.43) GABRA1GABRB2MIFLMNAGABRG2
SCHEMBL1457486 0.77 GABRA1 (0.71) GABRA1GABRB2MIFLMNAGABRG2
SCHEMBL11417964 0.77 GABRA1 (0.47) GABRA1GABRB2MIFLMNAGABRG2
SCHEMBL2001200 0.75 ALDH1A1 (0.47) GABRA1GABRB2MIFLMNATSHR

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 19 patents. 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
WO-2014001204-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIVERSITEIT GENT (BE) 2014-01-03 WO disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-7741337-B2 Azonafide derivatives, methods for their production and pharmaceutical compositions therefrom UNIBIOSCREEN S.A. (BE) 2010-06-22 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 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
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
US-4194008-A INSECTICIDE, FUNGICIDE, MITICIDE, PARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-03-18 US 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 (6 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 2428/4885MIF 2949/4885
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 2346/4885MIF 1733/4885
US-20150210728-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS B3GAT3, GALR3, ST6GAL1 GABRA1 3069/4885GABRB2 3018/4885MIF 2037/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP GABRA1 2786/4885GABRB2 2428/4885MIF 2949/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP GABRA1 2786/4885GABRB2 2428/4885MIF 2949/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP GABRA1 679/4885GABRB2 635/4885MIF 4073/4885

“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.