SCHEMBL6798429

SCHEMBL6798429

O=C(Nc1ccc(NCCc2ccccn2)c([N+](=O)[O-])c1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.57
PKM P14618 3/20 0.52
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
TRPV1 Q8NER1 2/20 0.49
KCNMA1 Q12791 1/20 0.45
APOB P04114 4/20 0.45
MTTP P55157 4/20 0.45
P2RX1 P51575 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
SCHEMBL6809184 0.95 SMO (0.56) SMOPKMLMNAMAPTTRPV1
SCHEMBL6804166 0.92 SMO (0.61) SMOLMNATRPV1KCNMA1APOB
SCHEMBL6803739 0.92 SMO (0.48) SMOPKMLMNAMAPTTRPV1
SCHEMBL6641308 0.91 PKM (0.51) SMOPKMLMNAMAPTTRPV1
SCHEMBL6791040 0.90 PKM (0.49) SMOPKMLMNAMAPT
SCHEMBL6792904 0.88 SMO (0.61) SMOLMNAMAPTTRPV1APOB
SCHEMBL6792248 0.87 SMO (0.60) SMOTRPV1APOBMTTP
SCHEMBL6788777 0.87 SMO (0.60) SMOLMNAMAPTTRPV1APOB
SCHEMBL6805454 0.87 SMO (0.60) SMOLMNAMAPTTRPV1APOB
SCHEMBL6792167 0.87 SMO (0.60) SMOLMNAMAPTTRPV1APOB

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 4390/4885PKM 3470/4885LMNA 956/4885

“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.