SCHEMBL4493421

SCHEMBL4493421

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
BACE1 P56817 1/20 0.35
FLT3 P36888 2/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR1 O14842 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
HPSE Q9Y251 1/20 0.32
TOP2B Q02880 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
AGBL2 Q5U5Z8 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
SCHEMBL4493418 1.00 KMT2A (0.36) KMT2AMEN1BACE1FLT3MAPT
SCHEMBL228511 0.96 KMT2A (0.35) KMT2AMEN1BACE1FLT3MAPT
SCHEMBL228510 0.96 KMT2A (0.35) KMT2AMEN1BACE1FLT3MAPT
SCHEMBL226171 0.93 BACE1 (0.35) KMT2AMEN1BACE1FLT3MAPT
SCHEMBL226172 0.93 BACE1 (0.35) KMT2AMEN1BACE1FLT3MAPT
SCHEMBL4494605 0.92 BACE1 (0.36) KMT2AMEN1BACE1FLT3MAPT
SCHEMBL4494601 0.92 BACE1 (0.36) KMT2AMEN1BACE1FLT3MAPT
SCHEMBL4493681 0.91 PLK1 (0.36) KMT2AMEN1FLT3MAPTSMN1; SMN2
SCHEMBL4493686 0.91 PLK1 (0.36) KMT2AMEN1FLT3MAPTSMN1; SMN2
SCHEMBL4500161 0.90 BACE1 (0.39) KMT2AMEN1BACE1FLT3MAPT

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 1288/4885BACE1 1615/4885

“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.