SCHEMBL7126316

SCHEMBL7126316

C=CC(=O)Oc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.47
TTR P02766 1/20 0.46
ERN1 O75460 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
TGM2 P21980 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.40
KCNMA1 Q12791 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
TLR9 Q9NR96 1/20 0.40
PTGS2 P35354 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27361987 0.88 ERN1 (0.47) GPR35TTRERN1ALDH1A1TP53
SCHEMBL4655499 0.85 TTR (0.49) GPR35TTRALDH1A1TP53HPGD
SCHEMBL28376956 0.81 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2GAATGM2
SCHEMBL20162383 0.81 ALDH1A1 (0.46) ALDH1A1GAATHRBTGM2L3MBTL1
SCHEMBL28210949 0.80 RECQL (0.56) GPR35TTRERN1ALDH1A1TP53
SCHEMBL28339042 0.79 FBP1 (0.42) ERN1ALDH1A1MAPK1TGM2KMT2A
SCHEMBL28339043 0.79 FBP1 (0.42) ERN1ALDH1A1MAPK1TGM2KMT2A
SCHEMBL28199720 0.77 LMNA (0.53) ALDH1A1MAPK1SMN1; SMN2GAAKMT2A
SCHEMBL226894 0.77 GAA (0.57) ALDH1A1MAPK1SMN1; SMN2GAATHRB
SCHEMBL27624619 0.77 SERPINE1 (0.41) ALDH1A1TP53HPGDTSHRMAPK1

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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD GPR35 52/4885TTR 4277/4885ERN1 3556/4885

“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.