SCHEMBL12144665

SCHEMBL12144665

CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.55
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 2/20 0.46
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 3/20 0.41
CYP3A4 P08684 2/20 0.41
CES2 O00748 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL1637175 0.79 MAPT (0.52) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL5647147 0.76 PKM (0.55) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL12144668 0.76 CA1 (0.41) MAPTKMT2AALDH1A1MEN1CYP1A2
SCHEMBL12144666 0.76 HDAC1 (0.43) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11939264 0.76 RXFP1 (0.49) MAPTNPSR1KMT2AALDH1A1MEN1
SCHEMBL16739563 0.75 KCNMA1 (0.63) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL462770 0.74 NPSR1 (0.48) ARMAPTNPSR1HTTKMT2A
SCHEMBL7746026 0.74 ALDH1A1 (0.44) ARMAPTNPSR1HTTKMT2A
SCHEMBL5563775 0.74 KMT2A (0.45) ARMAPTNPSR1HTTKMT2A
SCHEMBL27601632 0.73 AR (0.43) ARMAPTKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 US disclosed
WO-2009003077-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 WO 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-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA AR 2/4885MAPT 4524/4885NPSR1 375/4885

“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.