SCHEMBL4491989

SCHEMBL4491989

CC(C)NCc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.36
SLC2A1 P11166 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
F11 P03951 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.35
LRRK2 Q5S007 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP3 P42574 1/20 0.34
TGM2 P21980 1/20 0.34
PRKD1 Q15139 1/20 0.34
KIT P10721 1/20 0.34

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
SCHEMBL4491987 1.00 CES1 (0.36) CES1SLC2A1RXFP1F11CYP1A2
SCHEMBL4484602 0.89 HDAC1 (0.39) CES1SLC2A1RXFP1KDM4EMAPT
SCHEMBL4484605 0.89 HDAC1 (0.39) CES1SLC2A1RXFP1KDM4EMAPT
SCHEMBL4493369 0.88 CES1 (0.39) CES1RXFP1KDM4EMAPTMEN1
SCHEMBL4493365 0.88 CES1 (0.39) CES1RXFP1KDM4EMAPTMEN1
SCHEMBL4495019 0.87 HIF1A (0.40) CES1RXFP1KDM4EMAPT
SCHEMBL4495012 0.87 HIF1A (0.40) CES1RXFP1KDM4EMAPT
SCHEMBL2568574 0.86 HIF1A (0.40) RXFP1POLBHPGDKMT2APRKD1
SCHEMBL2568575 0.86 HIF1A (0.40) RXFP1POLBHPGDKMT2APRKD1
SCHEMBL4500437 0.86 CES1 (0.38) CES1RXFP1KDM4EMAPTLRRK2

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 2176/4885SLC2A1 1505/4885RXFP1 425/4885

“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.