SCHEMBL3095800

SCHEMBL3095800

CC(C)(C(=O)O)n1cccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KCNN4 O15554 1/20 0.35
KCNA3 P22001 1/20 0.35
ELANE P08246 2/20 0.33
ADRB3 P13945 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4B Q07343 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NOS1 P29475 1/20 0.30
TBXAS1 P24557 1/20 0.30
HTT P42858 1/20 0.30
RORC P51449 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
SCHEMBL10473438 0.83 ELANE (0.33) LMNAKCNN4KCNA3ELANEADRB3
SCHEMBL5322092 0.82 LMNA (0.35) LMNAKCNN4KCNA3ELANENOS1
SCHEMBL30107133 0.82 KMT2A (0.36) LMNAELANEADRB3KMT2A
SCHEMBL26668633 0.81 NOS1 (0.38) KCNN4KCNA3ELANEADRB3KMT2A
SCHEMBL16886284 0.81 KCNN4 (0.34) KCNN4KCNA3ELANEADRB3
SCHEMBL16422823 0.79 ELANE (0.32) KCNN4KCNA3ELANEADRB3RORC
SCHEMBL26668132 0.79 KCNN4 (0.34) KCNN4ELANEADRB3PDE4B
SCHEMBL18704852 0.79 LMNA (0.33) LMNAKCNN4KCNA3RORC
SCHEMBL18704849 0.79 LMNA (0.33) LMNAKCNN4KCNA3
SCHEMBL30107368 0.78 ADRB3 (0.37) KCNN4KCNA3ELANEADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4525875-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-03-26 EP disclosed
WO-2023224894-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-11-23 WO disclosed
US-20230339943-A1 ANTI-INFLUENZA VIRUS PYRIMIDINE DERIVATIVES Guangdong Raynovent Biotech Co., Ltd. (CN) 2023-10-26 US disclosed
EP-3845540-A1 INTERMEDIATES FOR THE SYNTHESIS OF BENZOXAZEPIN COMPOUNDS F. Hoffmann-La Roche AG (CH) 2021-07-07 EP disclosed
EP-3845540-A1 INTERMEDIATES FOR THE SYNTHESIS OF BENZOXAZEPIN COMPOUNDS F. Hoffmann-La Roche AG (CH) 2021-07-07 EP disclosed
EP-3404032-A2 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS F. Hoffmann-La Roche AG (CH) 2018-11-21 EP disclosed
US-10081624-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-09-25 US disclosed
US-20180222896-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-09 US disclosed
EP-3187497-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-07-05 EP disclosed
CN-105579457-A Substituted N-biphenyl-3-acetylamino-benzamides and N- [3- (acetylamino) phenyl ] -biphenyl-carboxamides and their use as WNT signaling pathway inhibitors Bayer Pharma AG 2016-05-11 CN disclosed
US-20140275523-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS GENENTECH, INC. (US) 2014-09-18 US disclosed
US-20140275523-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS GENENTECH, INC. (US) 2014-09-18 US disclosed
US-20140275523-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS GENENTECH, INC. (US) 2014-09-18 US disclosed
WO-2014140073-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-18 WO disclosed
WO-2014140073-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-18 WO disclosed
US-8217070-B2 2-substituted-1H-benzimidazole-4-carboxamides are PARP inhibitors ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-20100234425-A1 2-SUBSTITUTED-1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE PARP INHIBITORS ABBOTT LABORATORIES (US) 2010-09-16 US disclosed
US-7728026-B2 2-substituted-1 h-benzimidazile-4-carboxamides are PARP inhibitors ABBOTT LABORATORIES, INC. (US) 2010-06-01 US disclosed
WO-2006110683-A1 2-SUBSTITUTED-1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE PARP INHIBITORS ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
US-20060229351-A1 2-Substituted-1 H-benzimidazile-4-carboxamides are PARP inhibitors ABBVIE INC. 2006-10-12 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 (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-20060229351-A1 2-Substituted-1 H-benzimidazile-4-carboxamides are PARP inhibitors PARP1, PARP2, PARP4 LMNA 219/4885KCNN4 4379/4885KCNA3 4050/4885
US-20100234425-A1 2-SUBSTITUTED-1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE PARP INHIBITORS PARP1, PARP2, PARP4 LMNA 234/4885KCNN4 4582/4885KCNA3 4208/4885
US-20180222896-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC11 LMNA 4287/4885KCNN4 3434/4885KCNA3 2552/4885
US-20230339943-A1 ANTI-INFLUENZA VIRUS PYRIMIDINE DERIVATIVES ENTPD5, NUDT1, ITPA LMNA 4248/4885KCNN4 4236/4885KCNA3 2745/4885
US-10081624-B2 Heterocyclic compound HDAC1, HDAC5, HDAC11 LMNA 4287/4885KCNN4 3434/4885KCNA3 2552/4885
US-20140275523-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS PIK3C2B, PIP4K2C, PIK3C2A LMNA 554/4885KCNN4 408/4885KCNA3 1224/4885

“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.