SCHEMBL4488458

SCHEMBL4488458

CC(=O)N(CCCN(C)C)c1ccc(NC(=C2C(=O)Nc3cc(Br)ccc32)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.36
SIRT1 Q96EB6 3/20 0.36
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CCNB1 P14635 1/20 0.34
CCR6 P51684 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
CFTR P13569 2/20 0.34
LCK P06239 1/20 0.33
LTA4H P09960 2/20 0.33
TGM2 P21980 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 1/20 0.33
IDE P14735 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4488454 1.00 SIRT2 (0.36) SIRT2SIRT1CCNB2CDK1HSP90AA1
SCHEMBL30979378 1.00 SIRT2 (0.36) SIRT2SIRT1CCNB2CDK1HSP90AA1
SCHEMBL4493761 0.95 CCNB2 (0.35) SIRT2SIRT1CCNB2CDK1HSP90AA1
SCHEMBL30979372 0.95 CCNB2 (0.35) SIRT2SIRT1CCNB2CDK1HSP90AA1
SCHEMBL4493758 0.95 CCNB2 (0.35) SIRT2SIRT1CCNB2CDK1HSP90AA1
SCHEMBL26928300 0.91 BACE1 (0.36) CFTRLCKLTA4HALDH1A1MAPT
SCHEMBL4485494 0.91 KDM4E (0.37) CFTRLCKALDH1A1POLB
SCHEMBL4499093 0.91 BACE1 (0.39) CFTRLCKTGM2MAPTSMN1; SMN2
SCHEMBL4499092 0.91 BACE1 (0.39) CFTRLCKTGM2MAPTSMN1; SMN2
SCHEMBL4485489 0.91 KDM4E (0.37) CFTRLCKALDH1A1POLB

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 claimed
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 claimed
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 SIRT2 4315/4885SIRT1 3489/4885CCNB2 593/4885

“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.