SCHEMBL6805317

SCHEMBL6805317

O=C(O)CNc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.51
APOB P04114 9/20 0.50
MTTP P55157 8/20 0.50
P2RX1 P51575 2/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 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
SCHEMBL6805325 1.00 KCNMA1 (0.51) KCNMA1APOBMTTPP2RX1ALDH1A1
SCHEMBL6804166 0.84 SMO (0.61) KCNMA1APOBMTTPP2RX1ABCG2
SCHEMBL6794883 0.83 P2RX1 (0.56) KCNMA1APOBMTTPP2RX1ALDH1A1
SCHEMBL6801792 0.83 TP53 (0.56) APOBMTTPP2RX1ALDH1A1MAPT
SCHEMBL6798429 0.83 SMO (0.57) KCNMA1APOBMTTPP2RX1MAPT
SCHEMBL6809184 0.82 SMO (0.56) KCNMA1APOBMTTPP2RX1MAPT
SCHEMBL14031525 0.79 KCNMA1 (0.66) KCNMA1APOBMTTPP2RX1ALDH1A1
SCHEMBL6794433 0.78 ABCG2 (0.70) APOBMTTPP2RX1ALDH1A1MAPT
SCHEMBL7085366 0.78 SMO (0.53) KCNMA1APOBMTTPP2RX1TRPV1
SCHEMBL5113527 0.77 KMT2A (0.70) KCNMA1ALDH1A1MAPTLMNAMEN1

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 KCNMA1 1807/4885APOB 1/4885MTTP 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.