SCHEMBL14224501

SCHEMBL14224501

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
AR P10275 4/20 0.51
CYP3A4 P08684 3/20 0.51
PGR P06401 1/20 0.51
LMNA P02545 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
ALOX15 P16050 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL11440847 0.84 MAPT (0.48) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL1496732 0.84 LMNA (0.63) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL7699542 0.84 AR (0.52) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL11440848 0.83 MEN1 (0.50) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL2169885 0.81 MAPT (0.59) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL2169882 0.81 MAPT (0.59) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL26788606 0.81 AR (0.50) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL9028685 0.80 MEN1 (0.58) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL3911774 0.80 HTT (0.66) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL29674877 0.80 HTT (0.66) MAPTMEN1KMT2ARAB9AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS QTRT1, Q6ZSR9, QTRT2 MAPT 4305/4885MEN1 4449/4885KMT2A 3292/4885

“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.