SCHEMBL6794433

SCHEMBL6794433

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 2/20 0.62
RXFP1 Q9HBX9 2/20 0.62
ALDH1A1 P00352 1/20 0.62
HTT P42858 1/20 0.62
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MEN1 O00255 2/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.54
MITF O75030 1/20 0.54
PTGS1 P23219 1/20 0.54
APOB P04114 7/20 0.53
MTTP P55157 6/20 0.53
P2RX1 P51575 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51

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
SCHEMBL31155757 0.86 CHRNB2 (0.69) ABCG2SMN1; SMN2MAPTRXFP1ALDH1A1
SCHEMBL31393757 0.85 CHRNB2 (0.71) SMN1; SMN2ALDH1A1HTTNPC1RAB9A
SCHEMBL6496388 0.84 ABCG2 (0.56) ABCG2SMN1; SMN2MAPTRXFP1ALDH1A1
SCHEMBL6794747 0.84 PTGS1 (0.60) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL6794883 0.83 P2RX1 (0.56) ABCG2MAPTALDH1A1APOBMTTP
SCHEMBL6801792 0.83 TP53 (0.56) SMN1; SMN2MAPTALDH1A1HTTMEN1
SCHEMBL6791178 0.83 PTGS1 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9APTGS1
SCHEMBL3892690 0.83 TRPV1 (0.63) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL6800233 0.82 MTTP (0.54) ABCG2MAPTRXFP1ALDH1A1HTT
SCHEMBL6789828 0.81 PTGS1 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9APTGS1

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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 ABCG2 501/4885SMN1; SMN2 2504/4885MAPT 4795/4885

“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.