SCHEMBL4492820

SCHEMBL4492820

CS(=O)(=O)NCCCC(N)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
CES1 P23141 1/20 0.32
CA2 P00918 3/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
F10 P00742 3/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CASP3 P42574 1/20 0.31
KDR P35968 2/20 0.31
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL4499903 0.95 CES1 (0.33) CES1CA2CA12CA1CA9
SCHEMBL480578 0.88 HTT (0.37) RXFP1
SCHEMBL19133995 0.88 HTT (0.37) RXFP1
SCHEMBL4488163 0.88 LRRK2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4491671 0.87 CES1 (0.34) CES1CASP3KDRFLT4FLT3
SCHEMBL4495113 0.86 CES1 (0.36) CES1CASP3KDRFLT4FLT3
SCHEMBL19133986 0.86 RXFP1 (0.40) CA2CA12CA1CA9RXFP1
SCHEMBL480488 0.86 RXFP1 (0.40) CA2CA12CA1CA9RXFP1
SCHEMBL4492225 0.85 F11 (0.36) CES1CASP3RXFP1
SCHEMBL4496965 0.84 LRRK2 (0.37) CASP3KDRFLT4FLT3RXFP1

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 PSEN1 999/4885PSEN2 1664/4885APH1B 4592/4885

“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.