SCHEMBL443290

SCHEMBL443290

Cc1nc2ccccc2n1Cc1ccc(C2SC(=O)NC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.55
GALR3 O60755 3/20 0.55
NR2F2 P24468 3/20 0.55
RAB9A P51151 2/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PTAFR P25105 2/20 0.50
FFAR1 O14842 2/20 0.48
PPARA Q07869 2/20 0.48
CA2 P00918 1/20 0.47
HRH3 Q9Y5N1 6/20 0.46
NPC1 O15118 1/20 0.44

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
SCHEMBL443613 0.85 AGTR1 (0.59) FFAR1PPARA
SCHEMBL440513 0.83 HRH3 (0.49) FFAR1PPARAHRH3
SCHEMBL445905 0.78 CA2 (0.50) HDAC1HDAC6FFAR1PPARACA2
SCHEMBL9260111 0.74 TNF (0.77) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL6833621 0.73 TNF (0.81) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL231295 0.73 TNF (1.00) TNFGALR3NR2F2RAB9AHDAC1
Chlormidazole SCHEMBL148113 0.72 GALR3 (1.00) TNFGALR3NR2F2RAB9AHDAC1
Chlormidazole SCHEMBL30402878 0.72 GALR3 (1.00) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL1331422 0.72 HDAC1 (0.74) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL8220572 0.71 TNF (0.77) TNFGALR3NR2F2RAB9AHDAC1

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 TNF 2595/4885GALR3 2661/4885NR2F2 4305/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 TNF 2595/4885GALR3 2661/4885NR2F2 4305/4885

“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.