SCHEMBL1477511

SCHEMBL1477511

CC(C)(C)C(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.47
CTBP2 P56545 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 2/20 0.46
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PIK3CA P42336 2/20 0.44
HPGD P15428 2/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL13246726 0.94 L3MBTL1 (0.50) L3MBTL1NPC1RAB9ALMNAMAPT
SCHEMBL18751674 0.89 CES1 (0.46) L3MBTL1LMNAALDH1A1HPGDMAPK1
SCHEMBL16722805 0.83 ELANE (0.52) L3MBTL1LMNAALDH1A1KMT2AHPGD
SCHEMBL18116111 0.81 CA2 (0.56) LMNAMAPTALDH1A1POLBHPGD
SCHEMBL11389533 0.81 HPGD (0.55) L3MBTL1NPC1RAB9ALMNAALDH1A1
SCHEMBL8980228 0.81 CA2 (0.56) NPC1RAB9ALMNACTBP2MAPK1
SCHEMBL454778 0.80 PLAAT3 (0.51) L3MBTL1ALDH1A1MEN1KMT2APOLB
SCHEMBL11131275 0.80 L3MBTL1 (0.51) L3MBTL1NPC1RAB9ALMNAMAPT
SCHEMBL12895730 0.80 CNR2 (0.46) L3MBTL1NPC1RAB9AALDH1A1MEN1
SCHEMBL18116103 0.79 EPHX2 (0.44) LMNAALDH1A1HPGDCNR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915264-B2 Drugs for treating pain formed by arylation NOVARTIS AG (CH) 2011-03-29 US claimed
US-20040138454-A1 Fused pyridine derivatives for use as vanilloid receptor antagonists for treating pain CULSHAW ANDREW JAMES (GB) 2004-07-15 US claimed
CN-1500089-A Fused pyridine derivatives as capsaicin receptor antagonists for the treatment of pain ��˹��ŵ�� 2004-05-26 CN claimed
EP-1377576-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2004-01-07 EP claimed
WO-2002076946-A2 FUSED PYRIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR ANTAGONISTS FOR TREATING PAIN. NOVARTIS AG (CH) 2002-10-03 WO claimed
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
US-20220400678-A1 OXIME ETHER COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2022-12-22 US disclosed
WO-2016167361-A1 METHOD FOR PRODUCING ORGANIC COMPOUND SUBSTANTIALLY FREE OF Pd, AND NOVEL METHOD FOR REMOVING Pd FROM ORGANIC COMPOUND USING HYDROGEN GAS アステラス製薬株式会社 2016-10-20 WO disclosed
US-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 US disclosed
US-7915264-B2 Drugs for treating pain formed by arylation NOVARTIS AG (CH) 2011-03-29 US disclosed
US-20100317621-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 US disclosed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US disclosed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US disclosed
US-20040138454-A1 Fused pyridine derivatives for use as vanilloid receptor antagonists for treating pain CULSHAW ANDREW JAMES (GB) 2004-07-15 US disclosed
CN-1500089-A Fused pyridine derivatives as capsaicin receptor antagonists for the treatment of pain ��˹��ŵ�� 2004-05-26 CN disclosed
EP-1377576-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2004-01-07 EP disclosed
WO-2002076946-A2 FUSED PYRIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR ANTAGONISTS FOR TREATING PAIN. NOVARTIS AG (CH) 2002-10-03 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-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy ITGA1, ITGAL, ITGA4 L3MBTL1 748/4885NPC1 3565/4885RAB9A 1592/4885
US-20100317621-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB L3MBTL1 1425/4885NPC1 2957/4885RAB9A 458/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 L3MBTL1 1742/4885NPC1 2545/4885RAB9A 3975/4885
US-20040138454-A1 Fused pyridine derivatives for use as vanilloid receptor antagonists for treating pain TRPV1, OPRL1, OPRK1 L3MBTL1 4241/4885NPC1 1903/4885RAB9A 1330/4885
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 L3MBTL1 650/4885NPC1 2481/4885RAB9A 2130/4885
US-20220400678-A1 OXIME ETHER COMPOUND AND APPLICATION THEREOF CYP2E1, GALE, OGFOD1 L3MBTL1 3034/4885NPC1 3686/4885RAB9A 4702/4885

“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.