SCHEMBL4488157

SCHEMBL4488157

CC(=O)NCCCNCc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.41
CSNK2A1 P68400 2/20 0.40
SLC2A1 P11166 2/20 0.38
CNR1 P21554 2/20 0.38
POLB P06746 1/20 0.38
LRRK2 Q5S007 1/20 0.37
PTPN1 P18031 1/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4496959 0.95 CD274 (0.41) SLC2A1CNR1POLBLRRK2PTPN1
SCHEMBL4493906 0.89 MARS1 (0.39) MARS1CSNK2A1SLC2A1POLBPDCD1
SCHEMBL4505644 0.89 CNR1 (0.43) CNR1LRRK2MEN1LMNAKMT2A
SCHEMBL4505647 0.89 CNR1 (0.43) CNR1LRRK2MEN1LMNAKMT2A
SCHEMBL480495 0.88 HIF1A (0.39) MARS1CSNK2A1PTPN1PDCD1CD274
SCHEMBL4491667 0.88 PLK1 (0.37) MARS1CSNK2A1SLC2A1MEN1LMNA
SCHEMBL4495110 0.88 HDAC1 (0.39) CSNK2A1SLC2A1CNR1MEN1LMNA
SCHEMBL4492818 0.87 PDCD1 (0.37) MARS1CSNK2A1SLC2A1POLBPDCD1
SCHEMBL4493369 0.86 CES1 (0.39) POLBMEN1KMT2ANPSR1
SCHEMBL4493365 0.86 CES1 (0.39) POLBMEN1KMT2ANPSR1

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 MARS1 1925/4885CSNK2A1 325/4885SLC2A1 1505/4885

“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.