SCHEMBL4500472

SCHEMBL4500472

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
LRRK2 Q5S007 2/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
AHR P35869 1/20 0.35
PYGL P06737 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35

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
SCHEMBL4500471 1.00 ALDH1A1 (0.37) ALDH1A1RXFP1LRRK2NPC1POLB
SCHEMBL227306 0.94 KDR (0.37) ALDH1A1LRRK2NPC1POLBAHR
SCHEMBL227305 0.94 KDR (0.37) ALDH1A1LRRK2NPC1POLBAHR
SCHEMBL4488575 0.92 SLC6A9 (0.37) ALDH1A1RXFP1LRRK2NPC1POLB
SCHEMBL4488574 0.92 SLC6A9 (0.37) ALDH1A1RXFP1LRRK2NPC1POLB
SCHEMBL4487413 0.92 ALDH1A1 (0.36) ALDH1A1RXFP1LRRK2NPC1POLB
SCHEMBL4491894 0.92 ALDH1A1 (0.36) ALDH1A1RXFP1LRRK2NPC1POLB
SCHEMBL4487415 0.92 ALDH1A1 (0.36) ALDH1A1RXFP1LRRK2NPC1POLB
SCHEMBL4491892 0.92 ALDH1A1 (0.36) ALDH1A1RXFP1LRRK2NPC1POLB
SCHEMBL4506123 0.92 LRRK2 (0.43) ALDH1A1RXFP1LRRK2NPC1POLB

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 ALDH1A1 2036/4885RXFP1 425/4885LRRK2 168/4885

“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.