SCHEMBL4492090

SCHEMBL4492090

CC(C)(C(N)=O)N(c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
NR3C2 P08235 1/20 0.35
RECQL P46063 1/20 0.35
BRD4 O60885 2/20 0.35
KDR P35968 6/20 0.33
LRRK2 Q5S007 1/20 0.33
PDGFRB P09619 3/20 0.33
FLT3 P36888 3/20 0.33
AURKB Q96GD4 2/20 0.33
KIT P10721 2/20 0.33
FLT4 P35916 2/20 0.33
AURKA O14965 1/20 0.33
PDGFRA P16234 1/20 0.33
AURKC Q9UQB9 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL223609 0.91 BACE1 (0.34) BACE1CA12CA1CA2CA9
SCHEMBL224006 0.90 BACE1 (0.33) BACE1CA12CA1CA2CA9
SCHEMBL4486009 0.90 KDR (0.35) CA12CA1CA2CA9KDR
SCHEMBL228365 0.89 NR1H4 (0.35) BACE1CA12CA1CA2CA9
SCHEMBL226513 0.89 BACE1 (0.34) BACE1CA12CA1CA2CA9
SCHEMBL226927 0.88 SMN1; SMN2 (0.35) BACE1CA12CA1CA2CA9
SCHEMBL226804 0.87 CHEK1 (0.34) BACE1CA12CA1CA2CA9
SCHEMBL6332015 0.86 RET (0.45) BRD4KDRFLT3FLT4TP53
SCHEMBL2567995 0.85 BACE1 (0.35) BACE1FLT3AURKBTP53MAPT
SCHEMBL4485225 0.84 BACE1 (0.41) BACE1NR3C2BRD4PDGFRBMAPT

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 BACE1 1615/4885CA12 4682/4885CA1 4545/4885

“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.