SCHEMBL6355401

SCHEMBL6355401

O=Cc1ccc(CC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.65
ALDH5A1 P51649 1/20 0.57
ABAT P80404 1/20 0.57
VCAM1 P19320 1/20 0.53
ALDH3A1 P30838 2/20 0.49
ALDH1A1 P00352 8/20 0.46
MAPT P10636 5/20 0.46
ALDH1A3 P47895 1/20 0.46
XDH P47989 1/20 0.45
SRC P12931 1/20 0.43
PDK1 Q15118 1/20 0.41
TTR P02766 1/20 0.41
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7003338 0.88 ALDH5A1 (0.53) CYP1A2ALDH5A1ABATVCAM1ALDH3A1
SCHEMBL16396357 0.86 CYP1A2 (0.63) CYP1A2ALDH5A1ABATVCAM1ALDH3A1
SCHEMBL16396358 0.86 CYP1A2 (0.63) CYP1A2ALDH5A1ABATVCAM1ALDH3A1
SCHEMBL31442858 0.86 ALDH5A1 (0.55) CYP1A2ALDH5A1ABATVCAM1ALDH3A1
SCHEMBL5981396 0.86 ALDH5A1 (0.55) CYP1A2ALDH5A1ABATVCAM1ALDH3A1
SCHEMBL4575571 0.82 ALDH5A1 (0.62) CYP1A2ALDH5A1ABATVCAM1ALDH3A1
SCHEMBL2924523 0.80 ALDH3A1 (0.62) CYP1A2ALDH5A1ABATVCAM1ALDH3A1
SCHEMBL3291900 0.79 CYP1A2 (1.00) CYP1A2ALDH1A1MAPTHPGDMEN1
SCHEMBL14548858 0.79 ALDH5A1 (0.57) CYP1A2ALDH5A1ABATVCAM1ALDH3A1
SCHEMBL8759780 0.79 ALDH5A1 (0.57) CYP1A2ALDH5A1ABATVCAM1ALDH3A1

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-20050090498-A1 3-Quinolin-2(1h)-ylideneindolin-2-one derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-04-28 US disclosed
EP-1396490-A1 3-QUINOLINE-2-(1H)-YLIDENEINDOLIN-2-ONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-03-10 EP 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-20050090498-A1 3-Quinolin-2(1h)-ylideneindolin-2-one derivative KDR, FLT4, FLT1 CYP1A2 4714/4885ALDH5A1 1842/4885ABAT 3147/4885

“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.