SCHEMBL4490416

SCHEMBL4490416

CCCN(C)Cc1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LTA4H P09960 5/20 0.37
NAMPT P43490 1/20 0.36
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
ACKR3 P25106 1/20 0.36
ACHE P22303 3/20 0.36
BCHE P06276 2/20 0.36
RORC P51449 1/20 0.36
MOK Q9UQ07 1/20 0.34

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
SCHEMBL4490412 1.00 BACE1 (0.40) BACE1ALDH1A1LTA4HNAMPTTMEM97
SCHEMBL4492313 0.93 BACE1 (0.40) BACE1ALDH1A1LTA4HNAMPTTMEM97
SCHEMBL4492319 0.93 BACE1 (0.40) BACE1ALDH1A1LTA4HNAMPTTMEM97
SCHEMBL4501626 0.93 BACE1 (0.40) BACE1LTA4HNAMPTTMEM97SIGMAR1
SCHEMBL4501622 0.93 BACE1 (0.40) BACE1LTA4HNAMPTTMEM97SIGMAR1
SCHEMBL4493092 0.93 ACHE (0.43) BACE1NAMPTACHEBCHERORC
SCHEMBL4493087 0.93 ACHE (0.43) BACE1NAMPTACHEBCHERORC
SCHEMBL228672 0.90 BACE1 (0.38) BACE1LTA4HNAMPTTMEM97SIGMAR1
SCHEMBL4504089 0.90 BACE1 (0.43) BACE1NAMPT
SCHEMBL4504092 0.90 BACE1 (0.43) BACE1NAMPT

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 1615/4885ALDH1A1 2036/4885LTA4H 3908/4885

“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.