SCHEMBL4484435

SCHEMBL4484435

CCCS(=O)(=O)N(CCN(C)C)c1ccc(NC(=C2C(=O)Nc3cc(Br)ccc32)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
THRB P10828 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.31
SIRT1 Q96EB6 2/20 0.31
BRD4 O60885 2/20 0.31
BRD2 P25440 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CCNB1 P14635 1/20 0.31

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
SCHEMBL4484433 1.00 MEN1 (0.34) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL4492981 0.91 BACE1 (0.36) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL4495343 0.91 NPSR1 (0.33) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL4495336 0.91 NPSR1 (0.33) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL4492980 0.91 BACE1 (0.36) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL4506037 0.91 RORC (0.37) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL4506035 0.91 RORC (0.37) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL6326865 0.91 IDO1 (0.35) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6326869 0.91 IDO1 (0.35) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4485044 0.90 KMT2A (0.35) MEN1KMT2AALDH1A1LMNATP53

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 MEN1 1288/4885KMT2A 3530/4885ALDH1A1 2036/4885

“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.