SCHEMBL9463585

SCHEMBL9463585

CC(Br)c1ccccc1CBr

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
TSHR P16473 4/20 0.35
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 1/20 0.35
GABRA1 P14867 5/20 0.34
GABRB2 P47870 4/20 0.34
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ELANE P08246 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9463449 0.84 TSHR (0.34) TSHRALDH1A1TRPA1GABRA1GABRB2
SCHEMBL1539501 0.83 ALDH1A1 (0.36) TSHRALDH1A1TRPA1GABRA1GABRB2
SCHEMBL2219283 0.83 GABRA1 (0.46) TSHRALDH1A1TRPA1GABRA1GABRB2
SCHEMBL29426990 0.83 GABRA1 (0.46) TSHRALDH1A1TRPA1GABRA1GABRB2
SCHEMBL31158055 0.82 P2RX7 (0.39) P2RX7TSHRALDH1A1GABRA1GABRB2
SCHEMBL9492902 0.82 GABRA1 (0.48) P2RX7TSHRALDH1A1GABRA1GABRB2
SCHEMBL11265054 0.82 P2RX7 (0.39) P2RX7TSHRALDH1A1GABRA1GABRB2
SCHEMBL11262186 0.82 GABRA1 (0.43) P2RX7TSHRALDH1A1GABRA1GABRB2
SCHEMBL28791117 0.81 CYSLTR2 (0.35) P2RX7TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL3057597 0.80 TSHR (0.34) P2RX7TSHRGABRA1GABRB2

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-9975873-B2 Isoindoline derivatives UCB BIOPHARMA SPRL (BE) 2018-05-22 US disclosed
US-9975873-B2 Isoindoline derivatives UCB BIOPHARMA SPRL (BE) 2018-05-22 US disclosed
US-20170313677-A1 Isoindoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-11-02 US disclosed
US-20170313677-A1 Isoindoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-11-02 US 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
WO-2016055482-A1 ISOINDOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-14 WO 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
CN-102268041-A Bulk electron-enriching phosphine ligand catalyst and preparation method and use thereof 2011-12-07 CN 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
US-4338331-A DIURETIC, SLLURETIC, HYPOTENSIVE FARMATIS S.P.A. (IT) 1982-07-06 US disclosed
US-4338331-A DIURETIC, SLLURETIC, HYPOTENSIVE FARMATIS S.P.A. (IT) 1982-07-06 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 (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 P2RX7 2090/4885TSHR 1578/4885ALDH1A1 2234/4885
US-20170313677-A1 Isoindoline Derivatives OPRD1, ADRA1D, DRD2 P2RX7 624/4885TSHR 284/4885ALDH1A1 631/4885

“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.