SCHEMBL4496932

SCHEMBL4496932

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PLK1 P53350 3/20 0.37
HRH4 Q9H3N8 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BRD4 O60885 1/20 0.35
GSK3B P49841 1/20 0.35
KMT2A Q03164 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
SCHEMBL4496928 1.00 ATR (0.40) ATRALDH1A1SMN1; SMN2PARP1RXFP1
SCHEMBL4494447 0.95 BRD4 (0.38) ATRALDH1A1SMN1; SMN2RXFP1PLK1
SCHEMBL4494450 0.95 BRD4 (0.38) ATRALDH1A1SMN1; SMN2RXFP1PLK1
SCHEMBL4490897 0.92 TDP1 (0.38) ATRALDH1A1RXFP1HRH4ADORA2A
SCHEMBL4490893 0.92 TDP1 (0.38) ATRALDH1A1RXFP1HRH4ADORA2A
SCHEMBL4481674 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PARP1RXFP1PLK1
SCHEMBL4481672 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PARP1RXFP1PLK1
SCHEMBL3848089 0.88 RAB9A (0.42) ATRALDH1A1SMN1; SMN2ADORA2AADORA1
SCHEMBL4493210 0.87 EGLN1 (0.41) ATRALDH1A1SMN1; SMN2PARP1ADORA2A
SCHEMBL4493214 0.87 EGLN1 (0.41) ATRALDH1A1SMN1; SMN2PARP1ADORA2A

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 ATR 526/4885ALDH1A1 2036/4885SMN1; SMN2 4006/4885

“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.