SCHEMBL950090

SCHEMBL950090

CN(Cc1ncc2n1C(=O)N(C1CCN(Cc3ccccc3)CC1)C2)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM2 P08172 6/20 0.43
CHRM3 P20309 6/20 0.43
CXCR4 P61073 2/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
CCR5 P51681 4/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
ALDH1A1 P00352 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL947564 0.89 CHRM2 (0.45) RECQLSMN1; SMN2CHRM2CHRM3F2
SCHEMBL949180 0.82 F10 (0.49) RECQLSMN1; SMN2CHRM2CHRM3F2
SCHEMBL948780 0.81 ACHE (0.43) CHRM2CHRM3F2F10CCR5
SCHEMBL949948 0.80 F10 (0.36) SMN1; SMN2F2F10
SCHEMBL949174 0.80 CHRM2 (0.49) RECQLSMN1; SMN2CHRM2CHRM3F2
SCHEMBL948506 0.78 CHRM3 (0.42) RECQLSMN1; SMN2CHRM2CHRM3F2
SCHEMBL949320 0.77 CHRM3 (0.41) RECQLSMN1; SMN2CHRM2CHRM3F2
SCHEMBL947325 0.76 CHRM2 (0.40) SMN1; SMN2CHRM2CHRM3CCR5ALDH1A1
SCHEMBL949956 0.75 CHRM3 (0.48) RECQLSMN1; SMN2CHRM2CHRM3F2
SCHEMBL949045 0.71 F10 (0.77) F2F10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 RECQL 3956/4885SMN1; SMN2 3368/4885CHRM2 576/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 RECQL 3633/4885SMN1; SMN2 3635/4885CHRM2 1002/4885

“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.