SCHEMBL693127

SCHEMBL693127

CCc1ccccc1CBr

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.52
GABRB2 P47870 4/20 0.52
MGLL Q99685 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
TRPA1 O75762 1/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.35
CTSB P07858 1/20 0.35

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
SCHEMBL30644974 1.00 GABRA1 (0.52) GABRA1GABRB2MGLLCYP2D6TSHR
SCHEMBL29390847 0.85 GABRA1 (0.58) GABRA1GABRB2MGLLCYP2D6ALDH1A1
SCHEMBL36294 0.85 GABRA1 (0.58) GABRA1GABRB2MGLLCYP2D6ALDH1A1
SCHEMBL29382225 0.85 TSHR (0.50) GABRA1GABRB2CYP2D6TSHRALDH1A1
SCHEMBL28289 0.85 TSHR (0.50) GABRA1GABRB2CYP2D6TSHRALDH1A1
SCHEMBL25425763 0.85 GABRA1 (0.58) GABRA1GABRB2MGLLCYP2D6ALDH1A1
SCHEMBL7542830 0.82 GABRA1 (0.55) GABRA1GABRB2MGLLCYP2D6ALDH1A1
SCHEMBL14807864 0.82 GABRA1 (0.55) GABRA1GABRB2MGLLCYP2D6ALDH1A1
Benzene SCHEMBL3122858 0.82 TP53 (0.56) GABRA1GABRB2MGLLCYP2D6TP53
Benzene SCHEMBL11603070 0.82 TP53 (0.56) GABRA1GABRB2MGLLCYP2D6TP53

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 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3750890-B1 ALKOXYBENZO-FIVE-MEMBERED (SIX-MEMBERED) HETEROCYCLIC AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF SHIJIAZHUANG YILING PHARMACEUTICAL CO LTD (CN) 2026-04-01 EP disclosed
US-20260007672-A1 INHIBITORS OF MPTP NRG THERAPEUTICS LTD (GB) 2026-01-08 US disclosed
US-12491185-B2 Inhibitors of mPTP NRG THERAPEUTICS LTD (GB) 2025-12-09 US disclosed
EP-4652162-A1 INHIBITORS OF MPTP NRG Therapeutics LTD (GB) 2025-11-26 EP disclosed
US-20250177397-A1 INHIBITORS OF MPTP NRG THERAPEUTICS LTD (GB) 2025-06-05 US disclosed
WO-2025016469-A1 ALKOXY THIOPHENE ACYL ARYLAMINE COMPOUNDS AND USE THEREOF 复旦大学 2025-01-23 WO disclosed
CN-119320385-A Alkoxy thiophene carboxamide compounds and application thereof 复旦大学 2025-01-17 CN disclosed
US-20240327408-A1 COMPOUNDS CONTAINING TETRAHYDRONAPHTHYRIDINONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2024-10-03 US disclosed
EP-3615515-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2024-09-25 EP disclosed
WO-2024153946-A1 INHIBITORS OF MPTP NRG THERAPEUTICS LTD (GB) 2024-07-25 WO disclosed
US-7030242-B2 Selective inhibition of aggrecanase in osteoarthritis treatment PFIZER INC (US) 2006-04-18 US disclosed
US-20050227997-A1 1-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-4-aminoacetyl-3-methyl-piperazine-2-carboxylic acid hydroxyamide; potent enzyme inhibitor of metalloproteinases, for treating joint disease, prevent cartilage destruction NOE MARK C 2005-10-13 US disclosed
EP-0637580-B1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL CO (JP) 2002-08-14 EP disclosed
EP-1081137-A1 Selective inhibitors of aggrecanase in osteoarthritis treatment Pfizer Products Inc. (US) 2001-03-07 EP disclosed
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0695303-A1 NEW PYRIDINIUM SALTS AND THEIR USE FOR CONTROLLING HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-02-07 EP disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed
WO-1994024130-A1 NEW PYRIDINIUM SALTS AND THEIR USE FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-10-27 WO disclosed
WO-1993013089-A1 MACROCYCLIC POLYETHER CARBOXYLIC ACIDS URBAN FRANK J (US) 1993-07-08 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 (5 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-12491185-B2 Inhibitors of mPTP PARK7, PINK1, SNCA GABRA1 604/4885GABRB2 243/4885MGLL 2476/4885
US-20050227997-A1 1-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-4-aminoacetyl-3-methyl-piperazine-2-carboxylic acid hydroxyamide; potent enzyme inhibitor of metalloproteinases, for treating joint disease, prevent cartilage destruction MMP3, MMP1, MMP13 GABRA1 2258/4885GABRB2 3050/4885MGLL 3375/4885
US-20250177397-A1 INHIBITORS OF MPTP PARK7, PINK1, SNCA GABRA1 604/4885GABRB2 243/4885MGLL 2476/4885
US-20240327408-A1 COMPOUNDS CONTAINING TETRAHYDRONAPHTHYRIDINONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF PRCP, TMPRSS15, WEE1 GABRA1 1859/4885GABRB2 2679/4885MGLL 3697/4885
US-20260007672-A1 INHIBITORS OF MPTP PARK7, SNCA, CYC1 GABRA1 439/4885GABRB2 262/4885MGLL 2961/4885

“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.