SCHEMBL4491116

SCHEMBL4491116

CN(C)CCC(=O)N(C)c1ccc(NC(=C2C(=O)Nc3cc(Br)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.35
SIRT1 Q96EB6 2/20 0.35
TERT O14746 3/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CCNB1 P14635 1/20 0.35
CCR6 P51684 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
TGM2 P21980 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
BACE1 P56817 1/20 0.33
LMNA P02545 1/20 0.33
SENP1 Q9P0U3 2/20 0.33
BRD4 O60885 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL4491110 1.00 EGFR (0.40) EGFRSIRT2SIRT1TERTCCNB2
SCHEMBL4490906 0.91 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL30979370 0.91 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4490910 0.91 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4481828 0.91 CCNB2 (0.33) EGFRSIRT2SIRT1CCNB2CDK1
SCHEMBL4481832 0.91 CCNB2 (0.33) EGFRSIRT2SIRT1CCNB2CDK1
SCHEMBL4490351 0.90 BACE1 (0.41) EGFRTERTTGM2BACE1CASP3
SCHEMBL4488637 0.90 ALDH1A1 (0.36) TERTALDH1A1POLB
SCHEMBL4490347 0.90 BACE1 (0.41) EGFRTERTTGM2BACE1CASP3
SCHEMBL4488642 0.90 ALDH1A1 (0.36) TERTALDH1A1POLB

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 EGFR 3/4885SIRT2 4315/4885SIRT1 3489/4885

“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.