SCHEMBL4480293

SCHEMBL4480293

CC(=O)N1C(=O)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK1 P28482 1/20 0.40
SNCA P37840 1/20 0.39
ESR1 P03372 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL4480297 1.00 CES1 (0.41) CES1CES2MEN1KMT2ACA12
SCHEMBL4495335 0.89 ALDH1A1 (0.40) MEN1KMT2ACA12CA9MAPK1
SCHEMBL4495337 0.89 ALDH1A1 (0.40) MEN1KMT2ACA12CA9MAPK1
SCHEMBL3526300 0.88 CES1 (0.40) CES1CES2MEN1KMT2AALDH1A1
SCHEMBL3526299 0.88 CES1 (0.40) CES1CES2MEN1KMT2AALDH1A1
SCHEMBL28408693 0.87 ALDH1A1 (0.44) MEN1KMT2ACA12CA9MAPK1
SCHEMBL4499323 0.85 MEN1 (0.37) CES1CES2MEN1KMT2AMAPK1
SCHEMBL4499325 0.85 MEN1 (0.37) CES1CES2MEN1KMT2AMAPK1
SCHEMBL3529306 0.84 CES1 (0.37) CES1MEN1KMT2ACA12CA9
SCHEMBL3529307 0.84 CES1 (0.37) CES1MEN1KMT2ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR CES1 2176/4885CES2 3340/4885MEN1 1288/4885

“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.