SCHEMBL4487244

SCHEMBL4487244

CC(=O)N(CCNCCc1ccccc1)c1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
KCNH2 Q12809 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
APAF1 O14727 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 1/20 0.35
HASPIN Q8TF76 1/20 0.35
TGM2 P21980 1/20 0.33
KMT2A Q03164 2/20 0.32
KDR P35968 2/20 0.32
MAPK14 Q16539 2/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
AURKA O14965 1/20 0.32
PDGFRB P09619 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
SCHEMBL4487236 1.00 BACE1 (0.39) BACE1KCNH2KDM4EALDH1A1MAPT
SCHEMBL4497172 0.92 BACE1 (0.38) BACE1KCNH2KDM4EALDH1A1MAPT
SCHEMBL4497166 0.92 BACE1 (0.38) BACE1KCNH2KDM4EALDH1A1MAPT
SCHEMBL4485071 0.91 CNR1 (0.36) MAPTSMN1; SMN2KMT2A
SCHEMBL4485064 0.91 CNR1 (0.36) MAPTSMN1; SMN2KMT2A
SCHEMBL4476903 0.89 BACE1 (0.40) BACE1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4476912 0.89 BACE1 (0.40) BACE1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4494308 0.87 BACE1 (0.41) BACE1ALDH1A1MAPTSMN1; SMN2ACHE
SCHEMBL6182458 0.87 BACE1 (0.41) BACE1ALDH1A1MAPTSMN1; SMN2ACHE
SCHEMBL4494303 0.87 BACE1 (0.41) BACE1ALDH1A1MAPTSMN1; SMN2ACHE

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 1615/4885KCNH2 2021/4885KDM4E 1648/4885

“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.