SCHEMBL4493087

SCHEMBL4493087

CN(Cc1ccccc1)Cc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.43
BCHE P06276 6/20 0.43
BACE1 P56817 1/20 0.42
NAMPT P43490 2/20 0.40
RORC P51449 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL4493092 1.00 ACHE (0.43) ACHEBCHEBACE1NAMPTRORC
SCHEMBL4504089 0.93 BACE1 (0.43) BACE1NAMPTMAOAMAOB
SCHEMBL4504092 0.93 BACE1 (0.43) BACE1NAMPTMAOAMAOB
SCHEMBL4501622 0.93 BACE1 (0.40) ACHEBCHEBACE1NAMPT
SCHEMBL4492319 0.93 BACE1 (0.40) ACHEBCHEBACE1NAMPT
SCHEMBL4490416 0.93 BACE1 (0.40) ACHEBCHEBACE1NAMPTRORC
SCHEMBL4501626 0.93 BACE1 (0.40) ACHEBCHEBACE1NAMPT
SCHEMBL4490412 0.93 BACE1 (0.40) ACHEBCHEBACE1NAMPTRORC
SCHEMBL4492313 0.93 BACE1 (0.40) ACHEBCHEBACE1NAMPT
SCHEMBL225379 0.91 BACE1 (0.43) ACHEBCHEBACE1NAMPT

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 4 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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO 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 ACHE 2967/4885BCHE 4203/4885BACE1 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.