SCHEMBL4487046

SCHEMBL4487046

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.44
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ROCK2 O75116 6/20 0.38
F10 P00742 1/20 0.38
KLKB1 P03952 1/20 0.38
CES1 P23141 1/20 0.37
PTGER1 P34995 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
SLC2A1 P11166 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL4487048 1.00 LSS (0.44) LSSTMEM97SIGMAR1ROCK2F10
SCHEMBL228478 0.94 F10 (0.44) LSSROCK2F10KLKB1RXFP1
SCHEMBL228479 0.94 F10 (0.44) LSSROCK2F10KLKB1RXFP1
SCHEMBL227370 0.94 LSS (0.48) LSSTMEM97SIGMAR1ROCK2F10
SCHEMBL227369 0.94 LSS (0.48) LSSTMEM97SIGMAR1ROCK2F10
SCHEMBL4493665 0.93 TMEM97 (0.45) TMEM97SIGMAR1KDM4E
SCHEMBL4493668 0.93 TMEM97 (0.45) TMEM97SIGMAR1KDM4E
SCHEMBL4487655 0.92 TMEM97 (0.45) LSSTMEM97SIGMAR1F10
SCHEMBL4487652 0.92 TMEM97 (0.45) LSSTMEM97SIGMAR1F10
SCHEMBL4488110 0.91 LSS (0.43) LSSROCK2F10KLKB1CES1

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 LSS 2944/4885TMEM97 2293/4885SIGMAR1 916/4885

“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.