SCHEMBL6809381

SCHEMBL6809381

Cc1ccc(C(=O)Nc2ccc3c(c2)[nH]c(=O)c(=O)n3CCc2ccccn2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.47
MTTP P55157 4/20 0.43
APOB P04114 1/20 0.43
SLC11A2 P49281 2/20 0.41
S1PR1 P21453 6/20 0.40
S1PR3 Q99500 5/20 0.40
NR3C1 P04150 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HRH1 P35367 1/20 0.38
HTR6 P50406 1/20 0.38
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL6801859 0.92 SMO (0.55) SMOMTTPAPOBKDM4EKCNH2
SCHEMBL6642122 0.85 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL6803035 0.84 SMO (0.54) SMOMTTPAPOBKDM4E
SCHEMBL6801109 0.84 SMO (0.47) SMOMTTPAPOBS1PR1S1PR3
SCHEMBL6809534 0.81 SMO (0.48) SMOMTTPAPOBS1PR1S1PR3
SCHEMBL6668413 0.79 S1PR1 (0.45) SMOS1PR1S1PR3KDM4EHRH1
SCHEMBL6488178 0.79 SMO (0.52) SMOMTTPAPOBNR3C1
SCHEMBL6804015 0.78 SMO (0.47) SMOMTTPAPOBSLC11A2NR3C1
SCHEMBL6502553 0.78 SMO (0.51) SMOMTTPAPOBNR3C1
SCHEMBL6490835 0.77 SMO (0.50) SMOMTTPAPOBNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 SMO 4390/4885MTTP 108/4885APOB 1/4885

“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.