SCHEMBL4494338

SCHEMBL4494338

CCN(CC)Cc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
F10 P00742 1/20 0.40
ACHE P22303 5/20 0.39
BCHE P06276 4/20 0.39
HRH3 Q9Y5N1 1/20 0.37
KDR P35968 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
RORC P51449 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CES1 P23141 1/20 0.36
RXFP1 Q9HBX9 1/20 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
SCHEMBL4497710 1.00 MAPK1 (0.42) MAPK1F10ACHEBCHEHRH3
SCHEMBL4505924 0.97 ACHE (0.42) MAPK1F10ACHEBCHERORC
SCHEMBL4505927 0.97 ACHE (0.42) MAPK1F10ACHEBCHERORC
SCHEMBL4488468 0.94 RORC (0.41) MAPK1F10ACHEBCHEKDR
SCHEMBL4488474 0.94 RORC (0.41) MAPK1F10ACHEBCHEKDR
SCHEMBL4489331 0.93 CES1 (0.38) KDRKDM4EALDH1A1MAPTTMEM97
SCHEMBL4489328 0.93 CES1 (0.38) KDRKDM4EALDH1A1MAPTTMEM97
SCHEMBL4477743 0.93 RORC (0.43) MAPK1RORCTMEM97SIGMAR1CES1
SCHEMBL4477744 0.93 RORC (0.43) MAPK1RORCTMEM97SIGMAR1CES1
SCHEMBL4482774 0.91 KDR (0.39) KDRPRKAA2PRKAA1KDM4EALDH1A1

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 MAPK1 273/4885F10 2068/4885ACHE 2967/4885

“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.