SCHEMBL4495139

SCHEMBL4495139

NCCCc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CNR1 P21554 1/20 0.37
CES1 P23141 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BACE1 P56817 1/20 0.36
CHEK1 O14757 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
TGM2 P21980 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
SCHEMBL4495134 1.00 PLK1 (0.47) PLK1MAOAMAOBCNR1CES1
SCHEMBL4489906 0.94 PLK1 (0.40) PLK1MAOAMAOBCNR1CES1
SCHEMBL4489902 0.94 PLK1 (0.40) PLK1MAOAMAOBCNR1CES1
SCHEMBL4491667 0.89 PLK1 (0.37) PLK1CES1RXFP1KDM4EMEN1
SCHEMBL4495110 0.89 HDAC1 (0.39) PLK1CNR1CES1RXFP1MAPT
SCHEMBL4503258 0.88 PLK1 (0.43) PLK1MAOAMAOBCNR1KDM4E
SCHEMBL4503255 0.88 PLK1 (0.43) PLK1MAOAMAOBCNR1KDM4E
SCHEMBL4507715 0.86 CES1 (0.46) CES1RXFP1BACE1CHEK1MAPT
SCHEMBL4507721 0.86 CES1 (0.46) CES1RXFP1BACE1CHEK1MAPT
SCHEMBL4487770 0.86 TAAR1 (0.39) MAOAMAOBCNR1CES1RXFP1

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 2 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

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 PLK1 86/4885MAOA 822/4885MAOB 668/4885

“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.