SCHEMBL4501626

SCHEMBL4501626

CN(CCO)Cc1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
TMEM97 Q5BJF2 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
ACKR3 P25106 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
LTA4H P09960 6/20 0.37
NAMPT P43490 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 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
SCHEMBL4501622 1.00 BACE1 (0.40) BACE1TMEM97SIGMAR1ACKR3LMNA
SCHEMBL4490416 0.93 BACE1 (0.40) BACE1TMEM97SIGMAR1ACKR3LTA4H
SCHEMBL4492313 0.93 BACE1 (0.40) BACE1TMEM97SIGMAR1ACKR3LTA4H
SCHEMBL4490412 0.93 BACE1 (0.40) BACE1TMEM97SIGMAR1ACKR3LTA4H
SCHEMBL4492319 0.93 BACE1 (0.40) BACE1TMEM97SIGMAR1ACKR3LTA4H
SCHEMBL4493087 0.93 ACHE (0.43) BACE1NAMPTBCHEACHE
SCHEMBL4493092 0.93 ACHE (0.43) BACE1NAMPTBCHEACHE
SCHEMBL4494399 0.91 BACE1 (0.41) BACE1LMNAGAAACHEPDGFRB
SCHEMBL4504089 0.90 BACE1 (0.43) BACE1NAMPTPDGFRBKDRFLT3
SCHEMBL4504092 0.90 BACE1 (0.43) BACE1NAMPTPDGFRBKDRFLT3

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 1615/4885TMEM97 2293/4885SIGMAR1 916/4885

“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.