SCHEMBL4500511

SCHEMBL4500511

CN(CCNS(C)(=O)=O)Cc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 10/20 0.41
SIGMAR1 Q99720 10/20 0.41
ACHE P22303 1/20 0.36
F10 P00742 1/20 0.35
LTA4H P09960 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 1/20 0.34
CES1 P23141 1/20 0.33
HDAC1 Q13547 1/20 0.33
KMT2A Q03164 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
SCHEMBL4500513 1.00 TMEM97 (0.41) TMEM97SIGMAR1ACHEF10LTA4H
SCHEMBL4481139 0.91 F10 (0.44) TMEM97SIGMAR1ACHEF10LTA4H
SCHEMBL4481137 0.91 F10 (0.44) TMEM97SIGMAR1ACHEF10LTA4H
SCHEMBL4487655 0.89 TMEM97 (0.45) TMEM97SIGMAR1ACHEF10LTA4H
SCHEMBL4494969 0.89 TMEM97 (0.45) TMEM97SIGMAR1ACHEF10LTA4H
SCHEMBL4494974 0.89 TMEM97 (0.45) TMEM97SIGMAR1ACHEF10LTA4H
SCHEMBL4491461 0.89 TMEM97 (0.45) TMEM97SIGMAR1ACHEF10LTA4H
SCHEMBL4491462 0.89 TMEM97 (0.45) TMEM97SIGMAR1ACHEF10LTA4H
SCHEMBL4487652 0.89 TMEM97 (0.45) TMEM97SIGMAR1ACHEF10LTA4H
SCHEMBL4493665 0.89 TMEM97 (0.45) TMEM97SIGMAR1ACHE

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 TMEM97 2293/4885SIGMAR1 916/4885ACHE 2967/4885

“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.