SCHEMBL4487415

SCHEMBL4487415

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SLC6A9 P48067 1/20 0.35
TGM2 P21980 1/20 0.35
PLK1 P53350 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 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
PYGL P06737 1/20 0.34
SENP1 Q9P0U3 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 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
SCHEMBL4487413 1.00 ALDH1A1 (0.36) ALDH1A1SLC6A9TGM2PLK1RXFP1
SCHEMBL4492760 0.93 SLC6A9 (0.37) ALDH1A1SLC6A9TGM2PLK1RXFP1
SCHEMBL4492768 0.93 SLC6A9 (0.37) ALDH1A1SLC6A9TGM2PLK1RXFP1
SCHEMBL4491892 0.93 ALDH1A1 (0.36) ALDH1A1SLC6A9RXFP1MAPTGAA
SCHEMBL4491894 0.93 ALDH1A1 (0.36) ALDH1A1SLC6A9RXFP1MAPTGAA
SCHEMBL4500472 0.92 ALDH1A1 (0.37) ALDH1A1SLC6A9TGM2RXFP1MAPT
SCHEMBL4500471 0.92 ALDH1A1 (0.37) ALDH1A1SLC6A9TGM2RXFP1MAPT
SCHEMBL4503996 0.92 TMEM97 (0.41) ALDH1A1MAPTHTTNPC1POLB
SCHEMBL4488575 0.92 SLC6A9 (0.37) ALDH1A1SLC6A9PLK1RXFP1MAPT
SCHEMBL4488574 0.92 SLC6A9 (0.37) ALDH1A1SLC6A9PLK1RXFP1MAPT

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 2036/4885SLC6A9 2185/4885TGM2 4379/4885

“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.