SCHEMBL12434723

SCHEMBL12434723

CC(C)Cc1sccc1Br

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.40
POLB P06746 1/20 0.33
PARP1 P09874 1/20 0.33
BACE1 P56817 1/20 0.32
KEAP1 Q14145 1/20 0.31
FBP1 P09467 1/20 0.31
PDE7A Q13946 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL6638172 0.83 TAAR1 (0.38) ADRA1D
SCHEMBL3026911 0.78 ADRA1D (0.37) ADRA1DPARP1BACE1KEAP1
SCHEMBL11421425 0.76 GABRA1 (0.40) POLBKEAP1PDE7AGABRA1GABRB2
SCHEMBL956562 0.76 ALDH1A1 (0.43) ADRA1D
SCHEMBL15061193 0.75 ADRA1D (0.33) ADRA1DPOLBBACE1
SCHEMBL266174 0.75
SCHEMBL23877337 0.74 KEAP1 (0.31) KEAP1PDE7AGABRA1GABRB2
SCHEMBL9036511 0.74 GABRA1 (0.39) POLBKEAP1FBP1PDE7AHDAC3
SCHEMBL22863972 0.74 SLC6A3 (0.41) KEAP1FBP1PDE7AGABRA1GABRB2
SCHEMBL12702042 0.74 FBP1 (0.32) KEAP1FBP1PDE7AGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025044926-A1 THIENYLSULFONYL CARBAMATES AS AT2R AGONISTS 武汉人福创新药物研发中心有限公司 2025-03-06 WO disclosed
CN-119504723-A Thiophene sulfonyl carbamates as AT2R agonists 武汉人福创新药物研发中心有限公司 2025-02-25 CN disclosed
US-8318751-B2 Pyrimidinone derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20110178092-A1 HIV-1 Protease Inhibitors UNIVERSITY OF MARYLAND, COLLEGE PARK 2011-07-21 US disclosed
US-20110178092-A1 HIV-1 Protease Inhibitors UNIVERSITY OF MARYLAND, COLLEGE PARK 2011-07-21 US disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 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-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR17 ADRA1D 209/4885POLB 2241/4885PARP1 971/4885
US-20110178092-A1 HIV-1 Protease Inhibitors SERPINB1, PRSS1, TMPRSS4 ADRA1D 4478/4885POLB 1302/4885PARP1 475/4885

“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.