SCHEMBL6794883

SCHEMBL6794883

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.56
KCNMA1 Q12791 1/20 0.54
APOB P04114 9/20 0.54
MTTP P55157 8/20 0.54
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
TRPV1 Q8NER1 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
P2RX4 Q99571 1/20 0.49
P2RX7 Q99572 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.49

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
SCHEMBL6801792 0.89 TP53 (0.56) P2RX1APOBMTTPMAPTLMNA
SCHEMBL6805325 0.83 KCNMA1 (0.51) P2RX1KCNMA1APOBMTTPMAPT
SCHEMBL6805317 0.83 KCNMA1 (0.51) P2RX1KCNMA1APOBMTTPMAPT
SCHEMBL6794433 0.83 ABCG2 (0.70) P2RX1APOBMTTPMAPTABCG2
SCHEMBL14031525 0.81 KCNMA1 (0.66) P2RX1KCNMA1APOBMTTPMAPT
SCHEMBL4347085 0.79 CA12 (0.61) P2RX1KCNMA1MAPTLMNATRPV1
SCHEMBL6794747 0.79 PTGS1 (0.60) P2RX1APOBMTTPMAPTLMNA
SCHEMBL6804166 0.79 SMO (0.61) P2RX1KCNMA1APOBMTTPLMNA
SCHEMBL6638787 0.78 LMNA (0.55) P2RX1KCNMA1MAPTLMNATRPV1
SCHEMBL6798429 0.78 SMO (0.57) P2RX1KCNMA1APOBMTTPMAPT

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 P2RX1 3450/4885KCNMA1 1726/4885APOB 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.