SCHEMBL540467

SCHEMBL540467

CC(C)(C)OC(=O)Nc1ccc(CBr)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
HDAC1 Q13547 1/20 0.49
GRIN2B Q13224 1/20 0.44
CYP17A1 P05093 1/20 0.44
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
BCL2 P10415 1/20 0.41
SCN9A Q15858 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
AKT1 P31749 1/20 0.39
TSHR P16473 1/20 0.39
ATR Q13535 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DEGS1 O15121 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MAPK14 Q16539 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7380460 0.89 HDAC1 (0.47) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL16296315 0.89 NAMPT (0.48) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL540536 0.87 NAMPT (0.50) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL15354526 0.87 NAMPT (0.50) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL27690459 0.86 GAA (0.45) NAMPTHDAC1GRIN2BCYP17A1BCL2
SCHEMBL164105 0.86 HDAC1 (0.52) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL29523504 0.86 HDAC1 (0.52) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL21394710 0.86 NAMPT (0.49) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL9980800 0.86 NAMPT (0.49) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL10087556 0.86 NAMPT (0.49) NAMPTHDAC1GRIN2BCYP17A1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865906-B2 Process for the preparation of a compound useful as an inhibitor of TAFIa SANOFI (FR) 2014-10-21 US claimed
EP-4053108-B1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) 2026-03-11 EP disclosed
US-20260055063-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) 2026-02-26 US disclosed
US-12503444-B2 Compound containing benzene ring and application thereof WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2025-12-23 US disclosed
EP-4624472-A1 DEGRADER INCLUDING NOVEL C-MET PROTEIN LIGAND AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Innocure Therapeutics, Inc. (KR) 2025-10-01 EP disclosed
US-20240254138-A1 TRICYCLIC PYRIMIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-08-01 US disclosed
EP-4305040-A1 TRICYCLIC PYRIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS JANSSEN Pharmaceutica NV (BE) 2024-01-17 EP disclosed
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-06-15 US disclosed
EP-4053108-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-09-07 EP disclosed
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure ELEX BIOTECH, INC. (US) 2022-08-30 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 US disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2003013526-A1 ANTICOAGULANT COMPOUNDS MERCK & CO. INC. (US) 2003-02-20 WO disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
EP-1180099-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed
WO-2000066550-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 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 (6 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-20260055063-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF CNR2, RYR2, CNR1 NAMPT 4645/4885HDAC1 1758/4885GRIN2B 295/4885
US-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 NAMPT 909/4885HDAC1 1765/4885GRIN2B 4427/4885
US-20240254138-A1 TRICYCLIC PYRIMIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS CDK7, CDK2, CCNK NAMPT 461/4885HDAC1 1088/4885GRIN2B 3799/4885
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure RYR2, RYR1, CACNA1F NAMPT 2480/4885HDAC1 1099/4885GRIN2B 1399/4885
US-12503444-B2 Compound containing benzene ring and application thereof P2RX4, P2RX7, P2RX2 NAMPT 578/4885HDAC1 3892/4885GRIN2B 1839/4885
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF P2RX4, P2RX7, P2RX2 NAMPT 578/4885HDAC1 3892/4885GRIN2B 1839/4885

“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.