SCHEMBL4498605

SCHEMBL4498605

CN(C)CCN(c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2cccc(CC(=O)O)c2)cc1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.35
MEN1 O00255 5/20 0.35
PLK1 P53350 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
TSHR P16473 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
PLK3 Q9H4B4 1/20 0.32

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
SCHEMBL4498601 1.00 KMT2A (0.35) KMT2AMEN1PLK1LMNAHTT
SCHEMBL4493686 0.96 PLK1 (0.36) KMT2AMEN1PLK1LMNAHTT
SCHEMBL4493681 0.96 PLK1 (0.36) KMT2AMEN1PLK1LMNAHTT
SCHEMBL226619 0.93 PLK1 (0.38) KMT2AMEN1PLK1LMNAHTT
SCHEMBL226618 0.93 PLK1 (0.38) KMT2AMEN1PLK1LMNAHTT
SCHEMBL4494982 0.92 CPT1A (0.35) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL4494978 0.92 CPT1A (0.35) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL4492258 0.91 PLK1 (0.33) KMT2AMEN1PLK1SIRT2NR1H4
SCHEMBL4492261 0.91 PLK1 (0.33) KMT2AMEN1PLK1SIRT2NR1H4
SCHEMBL228510 0.91 KMT2A (0.35) KMT2AMEN1MAPTTSHRPDGFRB

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 KMT2A 3530/4885MEN1 1288/4885PLK1 86/4885

“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.