SCHEMBL3620893

SCHEMBL3620893

COC(=O)C(N)Cc1ccc(-c2ccc(N)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CPB2 Q96IY4 4/20 0.44
ALDH1A1 P00352 2/20 0.43
ACACB O00763 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41

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
SCHEMBL14713123 1.00 MKNK1 (0.47) MKNK1MKNK2CPB2ALDH1A1ACACB
Hydrochloric Acid SCHEMBL2019629 0.99 MKNK1 (0.46) MKNK1MKNK2CPB2ALDH1A1ACACB
Hydrochloric Acid SCHEMBL539680 0.99 MKNK1 (0.46) MKNK1MKNK2CPB2ALDH1A1ACACB
SCHEMBL14780596 0.89 CPB2 (0.52) CPB2ALDH1A1GABRPGABRDGABRA1
SCHEMBL3622726 0.88 ALDH1A1 (0.43) ALDH1A1ACACBTPH1PTGS2ROCK2
SCHEMBL3622723 0.88 ALDH1A1 (0.43) ALDH1A1ACACBTPH1PTGS2ROCK2
SCHEMBL3626942 0.86 IDO1 (0.44) ALDH1A1ACACBTPH1PTGS2ROCK2
Hydrochloric Acid SCHEMBL540416 0.86 ALDH1A1 (0.45) ALDH1A1ACACBTPH1PTGS2ROCK2
SCHEMBL3626946 0.86 IDO1 (0.44) ALDH1A1ACACBTPH1PTGS2ROCK2
Hydrochloric Acid SCHEMBL27850080 0.86 ALDH1A1 (0.45) ALDH1A1ACACBTPH1PTGS2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 EP disclosed
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof VTV THERAPEUTICS LLC 2015-05-28 US disclosed
US-8987295-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-03-24 US disclosed
US-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-04-18 US disclosed
US-8383644-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-02-26 US disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 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 (2 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-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLP1R, GIPR, GPR119 MKNK1 1719/4885MKNK2 1865/4885CPB2 2379/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 MKNK1 764/4885MKNK2 1318/4885CPB2 3351/4885

“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.