SCHEMBL4481433

SCHEMBL4481433

CNCCCN(C(C)=O)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33
CFTR P13569 2/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDR P35968 3/20 0.32
KIT P10721 1/20 0.32
FLT4 P35916 1/20 0.32
FLT3 P36888 1/20 0.32
TGM2 P21980 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL4481431 1.00 LRRK2 (0.35) LRRK2KDM4EALDH1A1RXFP1CFTR
SCHEMBL4560167 0.95 LRRK2 (0.36) LRRK2KDM4EALDH1A1RXFP1IDO1
SCHEMBL4560169 0.95 LRRK2 (0.36) LRRK2KDM4EALDH1A1RXFP1IDO1
SCHEMBL4492150 0.91 KDM4E (0.34) LRRK2KDM4EMAPT
SCHEMBL4492148 0.91 KDM4E (0.34) LRRK2KDM4EMAPT
SCHEMBL4497412 0.91 NR1H4 (0.32) LRRK2KDM4EALDH1A1RXFP1CFTR
SCHEMBL4497409 0.91 NR1H4 (0.32) LRRK2KDM4EALDH1A1RXFP1CFTR
SCHEMBL4504209 0.91 ADRA2C (0.38) LRRK2RXFP1CFTRIDO1TDO2
SCHEMBL4485489 0.91 KDM4E (0.37) LRRK2KDM4EALDH1A1RXFP1CFTR
SCHEMBL4485494 0.91 KDM4E (0.37) LRRK2KDM4EALDH1A1RXFP1CFTR

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 LRRK2 168/4885KDM4E 1648/4885ALDH1A1 2036/4885

“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.