SCHEMBL2853526

SCHEMBL2853526

NC(=O)c1cc(Br)ccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.59
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
CASP1 P29466 2/20 0.48
CES2 O00748 1/20 0.48
GALR3 O60755 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
PLAU P00749 1/20 0.47
PARP1 P09874 1/20 0.47
PTPN2 P17706 2/20 0.46
PTPN1 P18031 2/20 0.46
PTPN6 P29350 1/20 0.46
POLB P06746 3/20 0.44
MAPT P10636 3/20 0.44
ERN1 O75460 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL29435112 1.00 DGAT1 (0.59) DGAT1KDM4EGLACASP1CES2
SCHEMBL2344362 0.84 DGAT1 (0.67) DGAT1KDM4EGLACASP1CES2
SCHEMBL20808925 0.82 DGAT1 (0.64) DGAT1KDM4EGLACASP1CES2
SCHEMBL147774 0.80 KDM4E (0.70) DGAT1KDM4EGLACASP1CES2
SCHEMBL5759947 0.80 DGAT1 (0.57) DGAT1KDM4EGLACASP1CES2
SCHEMBL15263641 0.80 PARP1 (0.50) DGAT1KDM4ECYP2C19PARP1POLB
SCHEMBL26615131 0.80 MAPT (0.49) DGAT1KDM4ECASP1CYP2C9HPGD
SCHEMBL22423309 0.80 ERN1 (0.47) DGAT1KDM4ECES2HPGDPARP1
SCHEMBL1175614 0.80 HPGD (0.69) DGAT1KDM4EGLACASP1CES2
SCHEMBL24102358 0.79 DGAT1 (0.52) DGAT1KDM4EGLACASP1CES2

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
CN-110483380-A A kind of preparation method of 4- (2,5- dibromo benzoyl) nitrogen heteroaromatic rings UNIV CHENGDU 2019-11-22 CN claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
WO-2025010407-A2 NANOSCALE METAL-ORGANIC FRAMEWORKS WITH X-RAY TRIGGERABLE PRODRUGS FOR COMBINATION RADIOTHERAPY, CHEMOTHERAPY, AND IMMUNOTHERAPY THE UNIVERSITY OF CHICAGO (US) 2025-01-09 WO disclosed
CN-110483380-A A kind of preparation method of 4- (2,5- dibromo benzoyl) nitrogen heteroaromatic rings UNIV CHENGDU 2019-11-22 CN disclosed
CN-110483380-A A kind of preparation method of 4- (2,5- dibromo benzoyl) nitrogen heteroaromatic rings UNIV CHENGDU 2019-11-22 CN disclosed
CN-110483380-A A kind of preparation method of 4- (2,5- dibromo benzoyl) nitrogen heteroaromatic rings UNIV CHENGDU 2019-11-22 CN disclosed
US-10087205-B2 Metal organic frameworks comprising a plurality of SBUS with different metal ions and/or a plurality of organic linking ligands with different functional groups THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-02 US disclosed
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2016-06-02 US disclosed
US-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
WO-2015195179-A2 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-23 WO disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
CN-1878466-A Biphenyl derivative or salt thereof, pest control agent containing the same as active ingredient ISHIHARA SANGYO KAISHA (JP) 2006-12-13 CN disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (7 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-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS EPCAM, SOD1, SBDS DGAT1 4129/4885KDM4E 3868/4885GLA 3353/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 DGAT1 2914/4885KDM4E 2869/4885GLA 4793/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 DGAT1 3873/4885KDM4E 1403/4885GLA 3164/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 DGAT1 2914/4885KDM4E 2869/4885GLA 4793/4885
US-10087205-B2 Metal organic frameworks comprising a plurality of SBUS with different metal ions and/or a plurality of organic linking ligands with different functional groups EPCAM, SOD1, SBDS DGAT1 4129/4885KDM4E 3868/4885GLA 3353/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 DGAT1 3873/4885KDM4E 1403/4885GLA 3164/4885
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 DGAT1 3953/4885KDM4E 1399/4885GLA 2926/4885

“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.