SCHEMBL6804592

SCHEMBL6804592

Nc1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)ccc1NCc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.64
MTTP P55157 7/20 0.52
APOB P04114 7/20 0.52
TRPV1 Q8NER1 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
PTGS1 P23219 1/20 0.47
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
CSF1R P07333 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL6805454 0.91 SMO (0.60) SMOMTTPAPOBTRPV1LMNA
SCHEMBL6638865 0.90 SMO (0.53) SMOMTTPAPOBTRPV1LMNA
SCHEMBL6788033 0.87 SMO (0.67) SMOMTTPAPOBTRPV1LMNA
SCHEMBL6804166 0.86 SMO (0.61) SMOMTTPAPOBTRPV1LMNA
SCHEMBL6793489 0.83 SMO (0.62) SMOMTTPAPOBTRPV1LMNA
SCHEMBL6802784 0.82 SMO (0.51) SMOMTTPAPOBTRPV1LMNA
SCHEMBL6789743 0.82 SMO (0.58) SMOMTTPAPOBTRPV1PTGS1
SCHEMBL6639807 0.82 SMO (0.49) SMOMTTPAPOBTRPV1LMNA
SCHEMBL6792904 0.81 SMO (0.61) SMOMTTPAPOBTRPV1LMNA
SCHEMBL6795684 0.81 SMO (0.65) SMOMTTPAPOBTRPV1LMNA

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.