SCHEMBL4485044

SCHEMBL4485044

CN(C)CCN(c1ccc(N/C(=C2\C(=O)Nc3cc(Br)ccc32)c2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
BRD4 O60885 2/20 0.33
BRD2 P25440 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK1 P06493 2/20 0.32
CCNB2 O95067 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CCNB1 P14635 1/20 0.32
CCR6 P51684 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32

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
SCHEMBL4485046 1.00 KMT2A (0.35) KMT2ATSHRMEN1ALDH1A1LMNA
SCHEMBL4506035 0.91 RORC (0.37) KMT2ATSHRMEN1ALDH1A1LMNA
SCHEMBL4506037 0.91 RORC (0.37) KMT2ATSHRMEN1ALDH1A1LMNA
SCHEMBL4494272 0.90 GAA (0.38) KMT2ATSHRMEN1ALDH1A1LMNA
SCHEMBL7477241 0.90 MAOA (0.39) KMT2ATSHRMEN1ALDH1A1MAPT
SCHEMBL4494278 0.90 GAA (0.38) KMT2ATSHRMEN1ALDH1A1LMNA
SCHEMBL2564369 0.90 KMT2A (0.37) KMT2ATSHRMEN1LMNAMAPT
SCHEMBL4484967 0.90 BACE1 (0.38) KMT2ATSHRMEN1ALDH1A1LMNA
SCHEMBL5785267 0.90 MAOA (0.39) KMT2ATSHRMEN1ALDH1A1MAPT
SCHEMBL4484962 0.90 BACE1 (0.38) KMT2ATSHRMEN1ALDH1A1LMNA

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 KMT2A 3530/4885TSHR 503/4885MEN1 1288/4885

“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.