SCHEMBL9463593

SCHEMBL9463593

CC(Br)C(Br)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TRPA1 O75762 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8002957 0.84 TAAR1 (0.41) TAAR1CES2CES1TRPA1ADRA2A
SCHEMBL4074988 0.83 TAAR1 (0.50) TAAR1CES2CES1TRPA1ADRA2A
SCHEMBL13590015 0.82 CES2 (0.50) TAAR1CES2CES1TRPA1CYP2D6
SCHEMBL4456759 0.82 CES2 (0.50) TAAR1CES2CES1TRPA1CYP2D6
SCHEMBL10778622 0.81 TAAR1 (0.43) TAAR1CES2CES1TRPA1ADRA2A
SCHEMBL9523477 0.79 TAAR1 (0.46) TAAR1CES2CES1TRPA1ADRA2A
Bicarbonate SCHEMBL5784405 0.79 PTGS2 (0.58) TAAR1LMNAALDH1A1TDP1
SCHEMBL2238871 0.78 TRPA1 (0.48) TAAR1CES2CES1TRPA1ADRA2A
Benzene SCHEMBL22288204 0.77 TAAR1 (0.48) TAAR1CES2CES1TRPA1ADRA2A
SCHEMBL14127281 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649477-B1 POLARISATION TRANSFER VIA A SECOND METAL COMPLEX UNIV YORK (GB) 2024-08-14 EP disclosed
CN-105189515-B Furopyridine class as bromine structural domain inhibitor 葛兰素史克知识产权第二有限公司 2018-07-03 CN disclosed
EP-2970323-B1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS. GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO 2) LTD (GB) 2017-10-18 EP disclosed
US-9670221-B2 Furopyridines as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2017-06-06 US disclosed
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed
EP-2920183-B1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-03-08 EP disclosed
US-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160016966-A1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-21 US disclosed
EP-2970323-A1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-01-20 EP disclosed
EP-2920183-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS Glaxosmithkline LLC (US) 2015-09-23 EP disclosed
WO-2014140077-A1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-09-18 WO disclosed
WO-2014078257-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-05-22 WO disclosed
US-5264436-A Alpha-adrenoceptors antagonist, hypotensive agents or antidiabetic agents BEECHAM GROUP P.L.C. (GB) 1993-11-23 US disclosed
EP-0275639-B1 N-SUBSTITUTED CYCLIC AMIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1992-07-15 EP disclosed
US-5077299-A Glaucoma, antidepressants, anticoagulants, hypotensive agents BEECHAM GROUP P.L.C. (GB) 1991-12-31 US disclosed
US-4918083-A 4,5 Dihydroimidazole compounds which have useful pharmaceutical utility BEECHAM GROUP P.L.C. (GB) 1990-04-17 US disclosed
EP-0275639-A1 N-substituted cyclic amides, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-07-27 EP 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-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS BRD4, BET1, BRD3 TAAR1 614/4885CES2 2613/4885CES1 1692/4885
US-20160016966-A1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS BRD3, BRD4, BRPF3 TAAR1 3457/4885CES2 872/4885CES1 1931/4885

“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.