SCHEMBL4488747

SCHEMBL4488747

CN(C)CCc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
PLK1 P53350 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CES1 P23141 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
BACE1 P56817 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CHEK1 O14757 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LRRK2 Q5S007 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
PSEN1 P49768 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
SCHEMBL4488750 1.00 HRH3 (0.41) HRH3PLK1MAOAMAOBTMEM97
SCHEMBL4503255 0.94 PLK1 (0.43) PLK1MAOAMAOBTMEM97SIGMAR1
SCHEMBL4503258 0.94 PLK1 (0.43) PLK1MAOAMAOBTMEM97SIGMAR1
SCHEMBL226747 0.91 HRH3 (0.41) HRH3PLK1KDM4ELRRK2MAPT
SCHEMBL4498431 0.91 HRH3 (0.41) HRH3PLK1KDM4ELRRK2MAPT
SCHEMBL4501080 0.91 TMEM97 (0.46) MAOAMAOBTMEM97SIGMAR1
SCHEMBL4501074 0.91 TMEM97 (0.46) MAOAMAOBTMEM97SIGMAR1
SCHEMBL4498426 0.91 HRH3 (0.41) HRH3PLK1KDM4ELRRK2MAPT
SCHEMBL226746 0.91 HRH3 (0.41) HRH3PLK1KDM4ELRRK2MAPT
SCHEMBL4482774 0.91 KDR (0.39) MAOAMAOBCES1RXFP1BACE1

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 HRH3 869/4885PLK1 86/4885MAOA 822/4885

“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.