SCHEMBL6803035

SCHEMBL6803035

O=C(Nc1ccc2c(c1)[nH]c(=O)n2CCc1ccccn1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.54
MTTP P55157 11/20 0.46
EPHX2 P34913 1/20 0.45
APOB P04114 6/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TRPV1 Q8NER1 1/20 0.42

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) SMOMTTPAPOBKDM4EALDH1A1
SCHEMBL6668413 0.91 S1PR1 (0.45) SMOEPHX2KDM4EALDH1A1LMNA
SCHEMBL6809381 0.84 SMO (0.47) SMOMTTPAPOBKDM4E
SCHEMBL6919444 0.82 SMO (0.54) SMOMTTPAPOBTRPV1
SCHEMBL6802666 0.81 SMO (0.57) SMOMTTPAPOBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6806268 0.81 SMO (0.56) SMOMTTPAPOBKDM4EALDH1A1
SCHEMBL6804665 0.81 SMO (0.56) SMOMTTPAPOBKDM4EALDH1A1
SCHEMBL6805320 0.78 SMO (0.55) SMOMTTPAPOBKDM4EALDH1A1
SCHEMBL6699257 0.78 SMO (0.60) SMOMTTPAPOBKDM4EALDH1A1
SCHEMBL8201197 0.78 SMO (0.63) SMOMTTPAPOBKDM4EALDH1A1

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 108/4885EPHX2 403/4885

“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.