SCHEMBL4493510

SCHEMBL4493510

CCN(CCCN(C)C)C(=O)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
NAMPT P43490 1/20 0.39
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RAB9A P51151 1/20 0.36
PLK1 P53350 1/20 0.36
TERT O14746 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
OPRD1 P41143 1/20 0.35
KDR P35968 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
KIF11 P52732 2/20 0.34

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
SCHEMBL4493514 1.00 HPGD (0.40) HPGDALDH1A1TP53NAMPTGAA
SCHEMBL4499358 0.96 TP53 (0.38) HPGDALDH1A1TP53NAMPTGAA
SCHEMBL4499361 0.96 TP53 (0.38) HPGDALDH1A1TP53NAMPTGAA
SCHEMBL4481674 0.93 ALDH1A1 (0.44) HPGDALDH1A1TP53KDM4ERXFP1
SCHEMBL4481672 0.93 ALDH1A1 (0.44) HPGDALDH1A1TP53KDM4ERXFP1
SCHEMBL4493786 0.91 KDM4E (0.38) ALDH1A1NAMPTKDM4ERXFP1PLK1
SCHEMBL4493789 0.91 KDM4E (0.38) ALDH1A1NAMPTKDM4ERXFP1PLK1
SCHEMBL4490893 0.89 TDP1 (0.38) ALDH1A1NAMPTKDM4ERXFP1
SCHEMBL4490897 0.89 TDP1 (0.38) ALDH1A1NAMPTKDM4ERXFP1
SCHEMBL4503258 0.86 PLK1 (0.43) ALDH1A1KDM4EPLK1KDR

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 HPGD 2420/4885ALDH1A1 2036/4885TP53 681/4885

“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.