SCHEMBL4612637

SCHEMBL4612637

CCN(CC)Cc1ccc(NC(=C2C(=O)Nc3ccc(C(C)=O)cc32)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.40
BCHE P06276 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
PDPK1 O15530 2/20 0.39
AKT2 P31751 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
AKT1 P31749 1/20 0.39
RORC P51449 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MCL1 Q07820 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL8288418 1.00 ACHE (0.40) ACHEBCHEALDH1A1MAPTKDM4E
SCHEMBL23252178 0.91 KDM4E (0.49) ACHEBCHEALDH1A1MAPTKDM4E
SCHEMBL4611898 0.90 ROCK2 (0.40) ALDH1A1PDPK1AKT2MEN1KMT2A
SCHEMBL14587215 0.90 ROCK2 (0.40) ALDH1A1PDPK1AKT2MEN1KMT2A
SCHEMBL4611892 0.90 ROCK2 (0.40) ALDH1A1PDPK1AKT2MEN1KMT2A
SCHEMBL8187322 0.89 HTT (0.40) ACHEBCHEALDH1A1MAPTKDM4E
SCHEMBL8187326 0.89 HTT (0.40) ACHEBCHEALDH1A1MAPTKDM4E
SCHEMBL8176218 0.87 TDP1 (0.41) BCHEMEN1KMT2A
SCHEMBL8176217 0.87 TDP1 (0.41) BCHEMEN1KMT2A
SCHEMBL8179016 0.86 NAMPT (0.41) ACHEBCHERORCTP53HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727798-B1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-10-29 EP claimed
EP-1727798-A1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-12-06 EP claimed
WO-2005087726-A1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO claimed
EP-1727798-B1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-10-29 EP disclosed
US-7176231-B2 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-13 US disclosed
EP-1727798-A1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-12-06 EP disclosed
US-20050234120-A1 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US disclosed
WO-2005087726-A1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 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-20050234120-A1 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK2A3 ACHE 1871/4885BCHE 3674/4885ALDH1A1 1889/4885

“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.