SCHEMBL5577660

SCHEMBL5577660

O=C(NCc1scnc1N1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 9/20 0.48
▸ MAPT P10636 1/20 0.47
▸ PRKAA2 P54646 3/20 0.47
▸ MCHR1 Q99705 2/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ CYP2D6 P10635 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ GAA P10253 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
SCHEMBL5577738 0.96 OPRM1 (0.52) CXCR3MAPTPRKAA2MCHR1OPRM1
SCHEMBL5577679 0.86 GAA (0.49) CXCR3MAPTMCHR1GAA
SCHEMBL5577303 0.85 CCR1 (0.50) CXCR3PRKAA2MCHR1CHRM1HTR2A
SCHEMBL5577304 0.85 CXCR3 (0.46) CXCR3
SCHEMBL5577596 0.83 MCHR1 (0.47) CXCR3MAPTMCHR1GAA
SCHEMBL5577341 0.83 CHRM4 (0.47) CXCR3MCHR1CYP2D6CHRM1HTR2A
SCHEMBL5577831 0.83 DRD2 (0.45) PRKAA2MCHR1OPRM1CYP2D6CHRM1
SCHEMBL5577558 0.82 MT-CO2 (0.47) CXCR3PRKAA2
SCHEMBL5577645 0.82 SCN10A (0.54) CXCR3MAPTPRKAA2MCHR1
SCHEMBL5577358 0.80 DRD2 (0.46) CXCR3MCHR1HTR2A

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 32/4885MAPT 449/4885PRKAA2 4492/4885

“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.

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