SCHEMBL5577645

SCHEMBL5577645

O=C(NCc1cccnc1N1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 4/20 0.54
SCN2A Q99250 3/20 0.54
KDM4E B2RXH2 1/20 0.48
PRKAA2 P54646 1/20 0.48
CXCR3 P49682 3/20 0.47
MCHR1 Q99705 4/20 0.47
HTR2C P28335 3/20 0.47
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL5577844 0.96 SCN10A (0.56) SCN10ASCN2AKDM4EPRKAA2CXCR3
SCHEMBL5577374 0.85 SCN2A (0.51) SCN10ASCN2AKDM4ECXCR3MCHR1
SCHEMBL5577669 0.85 CXCR3 (0.50) SCN10ASCN2APRKAA2CXCR3MCHR1
SCHEMBL5577584 0.85 SCN10A (0.47) SCN10ASCN2ACXCR3MCHR1HTR2C
SCHEMBL5577755 0.83 MCHR1 (0.51) MCHR1HTR2CMEN1KMT2A
SCHEMBL5577752 0.83 MT-CO2 (0.47) KDM4EPRKAA2MCHR1HTR2CMEN1
SCHEMBL5577899 0.82 MCHR1 (0.47) PRKAA2MCHR1HTR2C
SCHEMBL5577763 0.82 SCN2A (0.53) SCN10ASCN2ACXCR3MCHR1MAPT
SCHEMBL5577660 0.82 CXCR3 (0.48) PRKAA2CXCR3MCHR1MAPT
SCHEMBL5577895 0.81 DRD2 (0.53) SCN10ASCN2AMCHR1

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 SCN10A 3595/4885SCN2A 3455/4885KDM4E 4213/4885

“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.