SCHEMBL5577874

SCHEMBL5577874

Cc1c(Cl)cccc1C(=O)NCc1scnc1N1CCCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PRKAA2 P54646 1/20 0.41
GPR6 P46095 4/20 0.40
CXCR3 P49682 2/20 0.40
PIK3CD O00329 1/20 0.40
TP53 P04637 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
SCHEMBL5577558 0.97 MT-CO2 (0.47) MT-CO2PRKAA2GPR6CXCR3TP53
SCHEMBL5577827 0.89 ALDH1A1 (0.42) MAPTKDM4E
SCHEMBL5577599 0.85 P2RX7 (0.46) MT-CO2MAPTKDM4EGPR6PIK3CD
SCHEMBL5577778 0.85 ALDH1A1 (0.44) MAPTKDM4E
SCHEMBL5577671 0.84 MT-CO2 (0.43) MT-CO2PRKAA2CXCR3
SCHEMBL5577697 0.84 MT-CO2 (0.43) MT-CO2CXCR3TP53
SCHEMBL5577531 0.84 MT-CO2 (0.54) MT-CO2MAPTKDM4EPRKAA2TP53
SCHEMBL5577678 0.83 MT-CO2 (0.44) MT-CO2OPRM1OPRK1MAPTKDM4E
SCHEMBL5577738 0.83 OPRM1 (0.52) OPRM1OPRK1MAPTPRKAA2CXCR3
SCHEMBL5577406 0.82 MT-CO2 (0.47) MT-CO2OPRM1OPRK1MAPTKDM4E

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 MT-CO2 2047/4885OPRM1 584/4885OPRK1 353/4885

“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.