SCHEMBL226807

SCHEMBL226807

CCOC(=O)CCc1cccc(/C(Nc2ccccc2)=C2/C(=O)Nc3cc(F)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.39
AURKA O14965 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
SYK P43405 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.35
SENP1 Q9P0U3 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.34
BRD4 O60885 1/20 0.34
AURKB Q96GD4 1/20 0.34
HIF1A Q16665 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 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
SCHEMBL226808 1.00 MAPT (0.41) MAPTBACE1AURKAIDO1TDO2
SCHEMBL226475 0.93 BACE1 (0.38) MAPTBACE1AURKAIDO1TDO2
SCHEMBL226476 0.93 BACE1 (0.38) MAPTBACE1AURKAIDO1TDO2
SCHEMBL224563 0.91 BACE1 (0.37) MAPTBACE1AURKAIDO1TDO2
SCHEMBL224562 0.91 BACE1 (0.37) MAPTBACE1AURKAIDO1TDO2
SCHEMBL226867 0.90 GPBAR1 (0.37) MAPTBACE1AURKAIDO1TDO2
SCHEMBL226689 0.90 BRD4 (0.37) MAPTBACE1AURKAIDO1TDO2
SCHEMBL226688 0.90 BRD4 (0.37) MAPTBACE1AURKAIDO1TDO2
SCHEMBL226869 0.90 ROCK2 (0.37) BACE1AURKAAURKBRXFP1
SCHEMBL226868 0.90 ROCK2 (0.37) BACE1AURKAAURKBRXFP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 EP disclosed
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
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
US-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 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 (3 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-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases COL1A1, MMP1, FOXM1 MAPT 3459/4885BACE1 2383/4885AURKA 4508/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR MAPT 545/4885BACE1 1615/4885AURKA 184/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 MAPT 3459/4885BACE1 2383/4885AURKA 4508/4885

“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.