SCHEMBL4489906

SCHEMBL4489906

NCCc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CES1 P23141 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
BACE1 P56817 1/20 0.37
CHEK1 O14757 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 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
KIT P10721 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
CNR1 P21554 2/20 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
SCHEMBL4489902 1.00 PLK1 (0.40) PLK1MAOAMAOBCES1RXFP1
SCHEMBL4495134 0.94 PLK1 (0.47) PLK1MAOAMAOBCES1RXFP1
SCHEMBL4495139 0.94 PLK1 (0.47) PLK1MAOAMAOBCES1RXFP1
SCHEMBL4495110 0.88 HDAC1 (0.39) PLK1CES1RXFP1KDM4EMAPT
SCHEMBL4507715 0.88 CES1 (0.46) CES1RXFP1BACE1CHEK1KDM4E
SCHEMBL4507721 0.88 CES1 (0.46) CES1RXFP1BACE1CHEK1KDM4E
SCHEMBL4487770 0.88 TAAR1 (0.39) MAOAMAOBCES1RXFP1BACE1
SCHEMBL4487766 0.88 TAAR1 (0.39) MAOAMAOBCES1RXFP1BACE1
SCHEMBL4488747 0.87 HRH3 (0.41) PLK1MAOAMAOBCES1RXFP1
SCHEMBL4488750 0.87 HRH3 (0.41) PLK1MAOAMAOBCES1RXFP1

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.