SCHEMBL5577938

SCHEMBL5577938

CC1CN(c2ncc(CNC(=O)c3ccc(Cl)cc3)s2)CCN1Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 8/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
OGA O60502 2/20 0.40
SCD O00767 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MLLT1 Q03111 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
SCHEMBL5577418 0.87 GAA (0.45) CXCR3SMN1; SMN2L3MBTL1
SCHEMBL5577855 0.85 GLS (0.49) CXCR3SMN1; SMN2MAPTL3MBTL1
SCHEMBL5577503 0.85 MT-CO2 (0.43) OGASCDMAPT
SCHEMBL5577638 0.83 CXCR3 (0.50) CXCR3SMN1; SMN2
SCHEMBL5577304 0.82 CXCR3 (0.46) CXCR3MLLT1
SCHEMBL5577570 0.82 SMN1; SMN2 (0.53) SMN1; SMN2MAPTMLLT1
SCHEMBL5577887 0.82 OPRM1 (0.51) CXCR3SMN1; SMN2MAPTL3MBTL1
SCHEMBL5577898 0.80 CXCR3 (0.48) CXCR3MAPTMLLT1
SCHEMBL5577584 0.80 SCN10A (0.47) CXCR3
SCHEMBL5577657 0.79 GNRHR (0.45) CXCR3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 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 (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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C CXCR3 32/4885SMN1; SMN2 2012/4885OGA 116/4885

“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.