SCHEMBL6799386

SCHEMBL6799386

O=C(Nc1ccc2c(c1)CCN2C(=O)Nc1ccccn1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.55
MTTP P55157 12/20 0.51
APOB P04114 9/20 0.51
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
HTR2B P41595 2/20 0.51
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47

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
SCHEMBL6643135 0.89 CREBBP (0.49) SMOHTR2AHTR2CMAPT
SCHEMBL6803526 0.88 MTTP (0.49) SMOMTTPAPOBHTR2AHTR2C
SCHEMBL6971759 0.86 SMO (0.56) SMOMTTPAPOBKDM4EALDH1A1
SCHEMBL6804688 0.85 SMO (0.61) SMOMTTPAPOBHTR2AHTR2C
SCHEMBL6802137 0.84 MTTP (0.47) SMOMTTPAPOBKDM4EALDH1A1
SCHEMBL6804769 0.84 MTTP (0.62) MTTPAPOBKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL6802355 0.83 SMO (0.59) SMOMTTPAPOBHTR2AHTR2C
SCHEMBL6804857 0.82 SMO (0.64) SMOMTTPAPOBHTR2AHTR2C
SCHEMBL6647338 0.82 APOB (0.56) SMOMTTPAPOBKDM4EALDH1A1
SCHEMBL6800063 0.82 SMO (0.55) 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 108/4885APOB 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.