SCHEMBL539487

SCHEMBL539487

COC(=O)[C@@H](N)Cc1ccc(-c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.50
MKNK2 Q9HBH9 6/20 0.50
CYP2A6 P11509 1/20 0.50
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48
NAAA Q02083 1/20 0.48
SMPD1 P17405 2/20 0.46
MMP12 P39900 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
IDO1 P14902 1/20 0.45
WNT3A P56704 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43

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
Hydrochloric Acid SCHEMBL539488 0.99 MKNK1 (0.49) MKNK1MKNK2CYP2A6F2F10
Hydrochloric Acid SCHEMBL539486 0.99 MKNK1 (0.49) MKNK1MKNK2CYP2A6F2F10
SCHEMBL1676925 0.86 MKNK1 (0.47) MKNK1MKNK2CYP2A6F2F10
SCHEMBL1676927 0.86 MKNK1 (0.47) MKNK1MKNK2CYP2A6F2F10
SCHEMBL7262990 0.85 ALDH1A1 (0.44) AAK1
SCHEMBL540302 0.85 GPR142 (0.50) F10PRSS1MMP12AAK1CLK4
SCHEMBL19699200 0.85 ALDH1A1 (0.49)
SCHEMBL2058766 0.85 ALDH1A1 (0.49)
SCHEMBL540000 0.85 GPR142 (0.50) F10PRSS1MMP12AAK1CLK4
SCHEMBL29627252 0.85 ALDH1A1 (0.49)

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 16 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
CN-102378574-B Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA INC 2013-11-20 CN 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
CN-102378574-A Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA INC 2012-03-14 CN disclosed
EP-2413693-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-02-08 EP disclosed
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-30 US disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 WO disclosed
EP-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 EP disclosed
CN-1071325-C Thiol derivatives having metallopeptidase inhibitory activity ZAMBON SPA (IT) 2001-09-19 CN disclosed
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US disclosed
CN-1206411-A Thiol derivatives with metallopeptidase inhibitory activity ZAMBON SPA (IT) 1999-01-27 CN disclosed
US-5760241-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS; CARDIOVASCULAR DISORDERS ZAMBON GROUP S.P.A. (IT) 1998-06-02 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-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLP1R, GIPR, GPR119 MKNK1 1719/4885MKNK2 1865/4885CYP2A6 1093/4885
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLP1R, GIPR, GPR119 MKNK1 1719/4885MKNK2 1865/4885CYP2A6 1093/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 MKNK1 764/4885MKNK2 1318/4885CYP2A6 1011/4885

“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.