SCHEMBL6354483

SCHEMBL6354483

CC(=O)Nc1cc(C(C(=O)O)C(=O)O)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.45
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PDE7A Q13946 1/20 0.42
HTT P42858 3/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
KMT2A Q03164 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TP53 P04637 2/20 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
SCHEMBL6354489 1.00 SLC9A1 (0.45) SLC9A1MAPTNPSR1PDE7AHTT
SCHEMBL27587597 0.87 ALDH1A1 (0.50) SLC9A1MAPTNPSR1PDE7AHTT
SCHEMBL6354726 0.81 SLC9A1 (0.59) SLC9A1MAPTNPSR1PDE7AHTT
SCHEMBL7749490 0.81 VCAM1 (0.42) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL7749482 0.81 VCAM1 (0.42) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL11525234 0.79 SLC9A1 (0.50) SLC9A1MAPTNPSR1PDE7AHTT
SCHEMBL30707885 0.79 SLC9A1 (0.50) SLC9A1MAPTNPSR1PDE7AHTT
SCHEMBL29386167 0.78 SLC9A1 (0.63) SLC9A1MAPTNPSR1PDE7AHTT
SCHEMBL10759973 0.78 SLC9A1 (0.63) SLC9A1MAPTNPSR1PDE7AHTT
SCHEMBL27796244 0.78 SLC9A1 (0.56) SLC9A1MAPTNPSR1PDE7AHTT

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 SLC9A1 1831/4885MAPT 3729/4885NPSR1 3613/4885

“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.