SCHEMBL4493789

SCHEMBL4493789

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TERT O14746 1/20 0.36
CXCR3 P49682 1/20 0.35
PLK1 P53350 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MCHR1 Q99705 1/20 0.35
BRD4 O60885 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
BACE1 P56817 1/20 0.35
KMT2A Q03164 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 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
SCHEMBL4493786 1.00 KDM4E (0.38) KDM4EALDH1A1NAMPTTDP1HDAC6
SCHEMBL4490893 0.95 TDP1 (0.38) KDM4EALDH1A1NAMPTTDP1CXCR3
SCHEMBL4490897 0.95 TDP1 (0.38) KDM4EALDH1A1NAMPTTDP1CXCR3
SCHEMBL4494447 0.92 BRD4 (0.38) KDM4EALDH1A1HDAC6PLK1BRD4
SCHEMBL4494450 0.92 BRD4 (0.38) KDM4EALDH1A1HDAC6PLK1BRD4
SCHEMBL3852723 0.91 NAMPT (0.38) NAMPTHDAC6MCHR1BACE1
SCHEMBL4493510 0.91 HPGD (0.40) KDM4EALDH1A1NAMPTTERTPLK1
SCHEMBL4493514 0.91 HPGD (0.40) KDM4EALDH1A1NAMPTTERTPLK1
SCHEMBL30979376 0.90 HDAC6 (0.39) NAMPTHDAC6MCHR1BACE1CDK4
SCHEMBL30979369 0.90 HDAC6 (0.39) NAMPTHDAC6MCHR1BACE1CDK4

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 KDM4E 1648/4885ALDH1A1 2036/4885NAMPT 3483/4885

“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.