SCHEMBL4491940

SCHEMBL4491940

CN(C)CCCN(c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
PLK1 P53350 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
GPR27 Q9NS67 1/20 0.33
CES1 P23141 1/20 0.33
TOP2B Q02880 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 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
SCHEMBL4491946 1.00 GAA (0.36) GAAPLK1SMN1; SMN2KMT2AMEN1
SCHEMBL4494272 0.95 GAA (0.38) GAAPLK1SMN1; SMN2KMT2AMEN1
SCHEMBL4494278 0.95 GAA (0.38) GAAPLK1SMN1; SMN2KMT2AMEN1
SCHEMBL4497689 0.91 CPT1A (0.36) PLK1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4494487 0.91 CPT1A (0.36) PLK1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4493686 0.90 PLK1 (0.36) GAAPLK1SMN1; SMN2KMT2AMEN1
SCHEMBL4493681 0.90 PLK1 (0.36) GAAPLK1SMN1; SMN2KMT2AMEN1
SCHEMBL4500161 0.90 BACE1 (0.39) GAASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4500157 0.90 BACE1 (0.39) GAASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7020142 0.90 SMN1; SMN2 (0.38) GAASMN1; SMN2KMT2AMEN1TSHR

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 GAA 4394/4885PLK1 86/4885SMN1; SMN2 4006/4885

“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.