SCHEMBL4499358

SCHEMBL4499358

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
NAMPT P43490 2/20 0.36
OPRD1 P41143 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
GRM5 P41594 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
LIMK2 P53671 1/20 0.36
FLT3 P36888 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
SCHEMBL4499361 1.00 TP53 (0.38) TP53HPGDALDH1A1RXFP1NAMPT
SCHEMBL4493510 0.96 HPGD (0.40) TP53HPGDALDH1A1RXFP1NAMPT
SCHEMBL4493514 0.96 HPGD (0.40) TP53HPGDALDH1A1RXFP1NAMPT
SCHEMBL4490893 0.91 TDP1 (0.38) ALDH1A1RXFP1NAMPT
SCHEMBL4490897 0.91 TDP1 (0.38) ALDH1A1RXFP1NAMPT
SCHEMBL2566898 0.90 TP53 (0.42) TP53HPGDALDH1A1RXFP1NAMPT
SCHEMBL3854341 0.89 TP53 (0.40) TP53ALDH1A1RXFP1NAMPTOPRD1
SCHEMBL4481672 0.88 ALDH1A1 (0.44) TP53HPGDALDH1A1RXFP1SMN1; SMN2
SCHEMBL4481674 0.88 ALDH1A1 (0.44) TP53HPGDALDH1A1RXFP1SMN1; SMN2
SCHEMBL4493786 0.88 KDM4E (0.38) ALDH1A1RXFP1NAMPT

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

“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.