SCHEMBL2056940

SCHEMBL2056940

Cc1nc(-c2cccc(Cl)c2)c(C(=O)N2CCSC2C(N)=O)s1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.40
HCRTR2 O43614 14/20 0.40
RORB Q92753 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK2 O60674 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 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
SCHEMBL2056966 0.87 HCRTR1 (0.43) HCRTR1HCRTR2RAB9ASMN1; SMN2KMT2A
SCHEMBL2056910 0.86 HCRTR1 (0.44) HCRTR1HCRTR2RORBSMN1; SMN2JAK2
SCHEMBL2056870 0.85 HCRTR1 (0.40) HCRTR1HCRTR2RORBJAK2CYP3A4
SCHEMBL2634914 0.84 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2635804 0.83 HCRTR1 (0.48) HCRTR1HCRTR2RAB9ASMN1; SMN2
SCHEMBL2056852 0.82 HCRTR1 (0.41) HCRTR1HCRTR2RAB9ASMN1; SMN2
SCHEMBL15428574 0.78 KMT2A (0.52) RORBRAB9ASMN1; SMN2JAK2CYP3A4
SCHEMBL28304845 0.78 NPC1 (0.54) RAB9ASMN1; SMN2KMT2A
SCHEMBL4785253 0.78 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2056937 0.78 HCRTR1 (0.47) HCRTR1HCRTR2RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US claimed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO claimed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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 (1 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885RORB 102/4885

“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.