SCHEMBL4489328

SCHEMBL4489328

O=C1Nc2cc(Cl)ccc2/C1=C(/Nc1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
BACE1 P56817 1/20 0.37
MEP1A Q16819 1/20 0.37
MEP1B Q16820 1/20 0.37
CHEK1 O14757 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
KDR P35968 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TGM2 P21980 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
SCHEMBL4489331 1.00 CES1 (0.38) CES1TMEM97SIGMAR1RXFP1BACE1
SCHEMBL4505927 0.94 ACHE (0.42) TMEM97SIGMAR1KDM4EMAPTMEN1
SCHEMBL4505924 0.94 ACHE (0.42) TMEM97SIGMAR1KDM4EMAPTMEN1
SCHEMBL4494338 0.93 MAPK1 (0.42) CES1TMEM97SIGMAR1RXFP1KDM4E
SCHEMBL4497710 0.93 MAPK1 (0.42) CES1TMEM97SIGMAR1RXFP1KDM4E
SCHEMBL4496029 0.92 HTT (0.35) CES1TMEM97SIGMAR1RXFP1BACE1
SCHEMBL4493665 0.92 TMEM97 (0.45) TMEM97SIGMAR1KDM4E
SCHEMBL4493668 0.92 TMEM97 (0.45) TMEM97SIGMAR1KDM4E
SCHEMBL4477743 0.91 RORC (0.43) CES1TMEM97SIGMAR1
SCHEMBL4477744 0.91 RORC (0.43) CES1TMEM97SIGMAR1

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 CES1 2176/4885TMEM97 2293/4885SIGMAR1 916/4885

“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.