SCHEMBL4481674

SCHEMBL4481674

CCN(CCCN(C)C)C(=O)c1cccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PLK1 P53350 3/20 0.38
MITF O75030 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDR P35968 2/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT3 P36888 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PARP1 P09874 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
PRKAA2 P54646 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
SCHEMBL4481672 1.00 ALDH1A1 (0.44) ALDH1A1HPGDTP53L3MBTL1PLK1
SCHEMBL4493510 0.93 HPGD (0.40) ALDH1A1HPGDTP53PLK1KDM4E
SCHEMBL4493514 0.93 HPGD (0.40) ALDH1A1HPGDTP53PLK1KDM4E
SCHEMBL4494447 0.91 BRD4 (0.38) ALDH1A1PLK1MITFKMT2ABRD4
SCHEMBL4494450 0.91 BRD4 (0.38) ALDH1A1PLK1MITFKMT2ABRD4
SCHEMBL4496932 0.89 ATR (0.40) ALDH1A1PLK1KMT2ABRD4RXFP1
SCHEMBL4496928 0.89 ATR (0.40) ALDH1A1PLK1KMT2ABRD4RXFP1
SCHEMBL4499358 0.88 TP53 (0.38) ALDH1A1HPGDTP53KDRFLT3
SCHEMBL4499361 0.88 TP53 (0.38) ALDH1A1HPGDTP53KDRFLT3
SCHEMBL4494839 0.85 TMEM97 (0.46) ALDH1A1HPGDKMT2AKDM4EKDR

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 2036/4885HPGD 2420/4885TP53 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.