SCHEMBL5577855

SCHEMBL5577855

O=C(NCc1cnc(N2CCN(Cc3ccc(F)cc3)CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
PRKAA2 P54646 4/20 0.48
MAPT P10636 2/20 0.46
CXCR3 P49682 3/20 0.46
MCHR1 Q99705 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL5577887 0.96 OPRM1 (0.51) GLSSMN1; SMN2LMNAPRKAA2MAPT
SCHEMBL5577638 0.85 CXCR3 (0.50) SMN1; SMN2PRKAA2CXCR3
SCHEMBL5577938 0.85 CXCR3 (0.44) SMN1; SMN2MAPTCXCR3L3MBTL1
SCHEMBL5577797 0.85 GAA (0.49) SMN1; SMN2LMNAMAPTMCHR1L3MBTL1
SCHEMBL5577544 0.83 CXCR3 (0.46) PRKAA2CXCR3MCHR1
SCHEMBL5577825 0.82 PRKAA2 (0.44) PRKAA2CXCR3MCHR1OPRM1NPC1
SCHEMBL5577473 0.82 ALDH1A1 (0.51) SMN1; SMN2LMNAMAPTMCHR1L3MBTL1
SCHEMBL5577474 0.82 MT-CO2 (0.46) GLSSMN1; SMN2LMNAPRKAA2
SCHEMBL5577923 0.80 HTR2C (0.46) CXCR3MCHR1
SCHEMBL5577660 0.80 CXCR3 (0.48) PRKAA2MAPTCXCR3MCHR1OPRM1

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 GLS 122/4885SMN1; SMN2 2012/4885LMNA 4819/4885

“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.