SCHEMBL6804166

SCHEMBL6804166

O=C(Nc1ccc(NCc2ccccn2)c([N+](=O)[O-])c1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.61
TRPV1 Q8NER1 2/20 0.50
MTTP P55157 6/20 0.48
APOB P04114 6/20 0.48
KCNMA1 Q12791 1/20 0.46
P2RX1 P51575 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
CSF1R P07333 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL6798429 0.92 SMO (0.57) SMOTRPV1MTTPAPOBKCNMA1
SCHEMBL6641215 0.91 SMO (0.50) SMOTRPV1MTTPAPOBKCNMA1
SCHEMBL6809184 0.90 SMO (0.56) SMOTRPV1MTTPAPOBKCNMA1
SCHEMBL7085366 0.86 SMO (0.53) SMOTRPV1MTTPAPOBKCNMA1
SCHEMBL6804592 0.86 SMO (0.64) SMOTRPV1MTTPAPOBLMNA
SCHEMBL6805325 0.84 KCNMA1 (0.51) TRPV1MTTPAPOBKCNMA1P2RX1
SCHEMBL6805317 0.84 KCNMA1 (0.51) TRPV1MTTPAPOBKCNMA1P2RX1
SCHEMBL6788033 0.84 SMO (0.67) SMOTRPV1MTTPAPOBLMNA
SCHEMBL6792614 0.84 SMO (0.55) SMOTRPV1MTTPAPOBP2RX1
SCHEMBL6803739 0.84 SMO (0.48) SMOTRPV1MTTPAPOBKCNMA1

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 4390/4885TRPV1 2399/4885MTTP 108/4885

“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.