SCHEMBL13643269

SCHEMBL13643269

O=COc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.44
BACE1 P56817 3/20 0.44
EGFR P00533 1/20 0.43
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL2234880 0.80 ALDH1A1 (0.56) BACE1ALDH1A1MEN1MAPTKMT2A
SCHEMBL375443 0.80 ALDH1A1 (0.56) BACE1ALDH1A1MEN1MAPTKMT2A
SCHEMBL96841 0.80 MEN1 (0.56) TTRALDH1A1MEN1MAPTKMT2A
SCHEMBL11302992 0.79 TSHR (0.58) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL28115044 0.79 PDE7A (0.56) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL13643270 0.79 ALDH1A1 (0.56) TTRALDH1A1MEN1MAPTKMT2A
SCHEMBL27561314 0.78 CASP6 (0.62) TTRMEN1MAPTKMT2ATSHR
SCHEMBL22609397 0.76 LMNA (0.54) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL16418462 0.75 ALDH1A1 (0.41) TTREGFRALDH1A1MEN1MAPT
SCHEMBL10416626 0.75 HPSE (0.59) TTRNPSR1ALDH1A1MEN1MAPT

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-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 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 (2 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-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 TTR 4524/4885BACE1 4456/4885EGFR 3193/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 TTR 4559/4885BACE1 4340/4885EGFR 3411/4885

“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.