SCHEMBL539260

SCHEMBL539260

O=C(CBr)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.59
NR4A2 P43354 5/20 0.54
MAOB P27338 5/20 0.53
MAOA P21397 3/20 0.53
FFAR1 O14842 1/20 0.50
SMPD1 P17405 2/20 0.49
PTPN1 P18031 1/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
ADAM17 P78536 1/20 0.47

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
SCHEMBL30413265 0.85 MRGPRX4 (0.63) MRGPRX4NR4A2MAOBMAOAFFAR1
SCHEMBL977279 0.85 MRGPRX4 (0.80) MRGPRX4NR4A2RXRARXRBRXRG
SCHEMBL30412528 0.85 MRGPRX4 (0.80) MRGPRX4NR4A2RXRARXRBRXRG
SCHEMBL539355 0.85 S1PR1 (0.53) MRGPRX4NR4A2MAOBMAOAFFAR1
SCHEMBL977116 0.85 MRGPRX4 (0.63) MRGPRX4NR4A2MAOBMAOAFFAR1
SCHEMBL540344 0.84 MAOB (0.75) MRGPRX4NR4A2MAOBMAOAFFAR1
SCHEMBL1438839 0.82 NR4A2 (0.72) MRGPRX4NR4A2MAOBMAOASMPD1
SCHEMBL30412015 0.82 MRGPRX4 (0.63) MRGPRX4NR4A2MAOBMAOAFFAR1
SCHEMBL30413678 0.82 MRGPRX4 (0.59) MRGPRX4NR4A2MAOBMAOAFFAR1
SCHEMBL975973 0.82 MRGPRX4 (0.63) MRGPRX4NR4A2MAOBMAOAFFAR1

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 23 patents — showing the first 20. 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
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
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
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-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof VTV THERAPEUTICS LLC 2015-05-28 US 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-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
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
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
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
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 WO 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 (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 MRGPRX4 569/4885NR4A2 630/4885MAOB 3762/4885
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLP1R, GIPR, GPR119 MRGPRX4 569/4885NR4A2 630/4885MAOB 3762/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 MRGPRX4 757/4885NR4A2 713/4885MAOB 2549/4885

“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.