SCHEMBL4477027

SCHEMBL4477027

CCNCC(=O)N(C)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
AHR P35869 1/20 0.34
LRRK2 Q5S007 1/20 0.34
SENP1 Q9P0U3 1/20 0.34
KDR P35968 3/20 0.34
FLT4 P35916 2/20 0.34
FLT3 P36888 2/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL4477025 1.00 PYGL (0.37) PYGLALDH1A1HSD17B10RXFP1NPC1
SCHEMBL4503999 0.90 CNR1 (0.36) PYGLALDH1A1NPC1POLBSENP1
SCHEMBL4501362 0.90 PYGL (0.41) PYGLALDH1A1HSD17B10RXFP1NPC1
SCHEMBL4501367 0.90 PYGL (0.41) PYGLALDH1A1HSD17B10RXFP1NPC1
SCHEMBL4495614 0.89 ALDH1A1 (0.38) PYGLALDH1A1HSD17B10RXFP1NPC1
SCHEMBL4495611 0.89 ALDH1A1 (0.38) PYGLALDH1A1HSD17B10RXFP1NPC1
SCHEMBL6321618 0.89 IDO1 (0.42) ALDH1A1RXFP1NPC1POLBSENP1
SCHEMBL6321612 0.89 IDO1 (0.42) ALDH1A1RXFP1NPC1POLBSENP1
SCHEMBL4500472 0.89 ALDH1A1 (0.37) PYGLALDH1A1RXFP1NPC1POLB
SCHEMBL4505730 0.89 GABRP (0.45) PYGLALDH1A1RXFP1NPC1POLB

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-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

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 PYGL 386/4885ALDH1A1 2036/4885HSD17B10 2351/4885

“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.