SCHEMBL4507010

SCHEMBL4507010

CN(C)C(=O)CN(c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2cccc(CC(=O)O)c2)cc1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.36
KMT2A Q03164 5/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 3/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.33
POLB P06746 3/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL4507012 1.00 ALDH1A1 (0.38) ALDH1A1GAAKMT2ATSHRMEN1
SCHEMBL226914 0.93 ALDH1A1 (0.37) ALDH1A1GAAKMT2ATSHRMEN1
SCHEMBL226913 0.93 ALDH1A1 (0.37) ALDH1A1GAAKMT2ATSHRMEN1
SCHEMBL4486139 0.92 ALDH1A1 (0.40) ALDH1A1GAAKMT2AMEN1HTT
SCHEMBL4486135 0.92 ALDH1A1 (0.40) ALDH1A1GAAKMT2AMEN1HTT
SCHEMBL224007 0.91 ALDH1A1 (0.36) ALDH1A1KMT2ATSHRMEN1SMN1; SMN2
SCHEMBL224008 0.91 ALDH1A1 (0.36) ALDH1A1KMT2ATSHRMEN1SMN1; SMN2
SCHEMBL4486013 0.91 ALDH1A1 (0.43) ALDH1A1GAAKMT2ATSHRMEN1
SCHEMBL4486016 0.91 ALDH1A1 (0.43) ALDH1A1GAAKMT2ATSHRMEN1
SCHEMBL4498605 0.90 KMT2A (0.35) GAAKMT2ATSHRMEN1HTT

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 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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO 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 2036/4885GAA 4394/4885KMT2A 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.