SCHEMBL443613

SCHEMBL443613

CCCc1nc2ccccc2n1Cc1ccc(C2SC(=O)NC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.59
AGTR2 P50052 4/20 0.59
PPARG P37231 6/20 0.56
FFAR1 O14842 1/20 0.52
PPARA Q07869 1/20 0.52
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL443290 0.85 TNF (0.55) FFAR1PPARA
SCHEMBL7015942 0.81 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL440513 0.78 HRH3 (0.49) FFAR1PPARA
SCHEMBL445905 0.75 CA2 (0.50) PPARGFFAR1PPARALMNAMAPT
SCHEMBL9192299 0.74 AGTR1 (1.00) AGTR1AGTR2PPARGPOLB
SCHEMBL9119861 0.73 AGTR1 (0.64) AGTR1AGTR2PPARGLMNAMAPT
SCHEMBL9201172 0.72 DRD2 (0.78) AGTR1AGTR2PPARGMAPTPOLB
SCHEMBL9121396 0.71 AGTR1 (0.58) AGTR1AGTR2PPARGPOLB
SCHEMBL9434830 0.70 AGTR1 (0.66) AGTR1AGTR2PPARGLMNAMAPT
SCHEMBL9129370 0.69 AGTR1 (0.74) AGTR1AGTR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US 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

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 AGTR1 1990/4885AGTR2 2617/4885PPARG 857/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 AGTR1 1990/4885AGTR2 2617/4885PPARG 857/4885

“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.