SCHEMBL4492093

SCHEMBL4492093

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
BACE1 P56817 1/20 0.39
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.37
PDGFRB P09619 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
NR3C2 P08235 1/20 0.35
GAA P10253 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
SCHEMBL4492094 1.00 ALDH1A1 (0.41) ALDH1A1POLBKMT2AL3MBTL1TSHR
SCHEMBL223610 0.91 ALDH1A1 (0.38) ALDH1A1POLBKMT2AL3MBTL1TSHR
SCHEMBL223611 0.91 ALDH1A1 (0.38) ALDH1A1POLBKMT2AL3MBTL1TSHR
SCHEMBL224008 0.91 ALDH1A1 (0.36) ALDH1A1POLBKMT2AL3MBTL1TSHR
SCHEMBL224007 0.91 ALDH1A1 (0.36) ALDH1A1POLBKMT2AL3MBTL1TSHR
SCHEMBL2573463 0.90 KMT2A (0.39) ALDH1A1POLBKMT2ATSHRBACE1
SCHEMBL4486016 0.90 ALDH1A1 (0.43) ALDH1A1POLBKMT2ATSHRMEN1
SCHEMBL4486013 0.90 ALDH1A1 (0.43) ALDH1A1POLBKMT2ATSHRMEN1
SCHEMBL2573466 0.90 KMT2A (0.39) ALDH1A1POLBKMT2ATSHRBACE1
SCHEMBL228367 0.90 ALDH1A1 (0.37) ALDH1A1POLBKMT2AL3MBTL1TSHR

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 ALDH1A1 2036/4885POLB 4146/4885KMT2A 3530/4885

“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.