SCHEMBL2018202

SCHEMBL2018202

CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 3/20 0.50
HTT P42858 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.45
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 3/20 0.43
MCL1 Q07820 1/20 0.43
PTK2B Q14289 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 3/20 0.42
DYRK1A Q13627 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 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
SCHEMBL13922790 0.82 AR (0.41) CYP1A2MEN1KMT2APOLBHTT
SCHEMBL2067384 0.80 RAB9A (0.48) MEN1KMT2APOLBHTTCTDSP1
SCHEMBL30051515 0.80 POLB (0.40) CYP1A2MEN1KMT2APOLBCTDSP1
SCHEMBL539518 0.80 HSF1 (0.45) KMT2APOLBHTTCYP3A4MAPT
SCHEMBL15167574 0.78 TSHR (0.40) MEN1KMT2APOLBHTTCTDSP1
SCHEMBL31455541 0.78 ALDH1A1 (0.43) CYP1A2GAAMEN1KMT2APOLB
SCHEMBL12540845 0.77 MEN1 (0.50) CYP1A2GAAMEN1KMT2APOLB
SCHEMBL11194897 0.77 CYP1A2 (0.49) CYP1A2GAAMEN1KMT2APOLB
SCHEMBL10980184 0.77 ADORA2B (0.53) CYP1A2GAAMEN1KMT2APOLB
SCHEMBL4816783 0.76 MAPT (0.60) CYP1A2GAAMEN1KMT2APOLB

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 11 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
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
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-30 US disclosed
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-30 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 CYP1A2 393/4885GAA 1571/4885MEN1 403/4885
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLP1R, GIPR, GPR119 CYP1A2 393/4885GAA 1571/4885MEN1 403/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 CYP1A2 326/4885GAA 1992/4885MEN1 264/4885

“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.