SCHEMBL5577462

SCHEMBL5577462

CCNC(=O)N(Cc1cccc(Cl)c1)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.51
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CACNA1G O43497 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CCR8 P51685 1/20 0.40

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
SCHEMBL5577574 0.92 GAA (0.44) SIGMAR1GAAKDM4ELMNAUBE2M
SCHEMBL5577823 0.91 HRH3 (0.47) SIGMAR1GAAKDM4ELMNAKCNH2
SCHEMBL5577834 0.91 GAA (0.52) SIGMAR1GAAKDM4ELMNAUBE2M
SCHEMBL5577764 0.90 MEN1 (0.50) SIGMAR1GAAKDM4ELMNAALDH1A1
SCHEMBL5577271 0.89 MEN1 (0.45) SIGMAR1GAAKDM4ELMNACACNA1G
SCHEMBL5577885 0.89 SIGMAR1 (0.52) SIGMAR1GAAKDM4ELMNA
SCHEMBL5577817 0.88 SIGMAR1 (0.52) SIGMAR1GAAKDM4ELMNA
SCHEMBL5577702 0.88 MCHR1 (0.51) SIGMAR1GAAKDM4ELMNAALDH1A1
SCHEMBL5577520 0.87 SIGMAR1 (0.45) SIGMAR1GAAKDM4ELMNACACNA1G
SCHEMBL5577870 0.87 SIGMAR1 (0.47) SIGMAR1UBE2MDCUN1D1KCNH2HRH3

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 SIGMAR1 3281/4885GAA 3806/4885KDM4E 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.