SCHEMBL4640043

SCHEMBL4640043

NC(=O)c1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.59
ALDH1A1 P00352 3/20 0.59
RAB9A P51151 3/20 0.59
ATP4A P20648 2/20 0.56
ATP4B P51164 2/20 0.56
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
GAA P10253 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK14 Q16539 1/20 0.50
CYP2D6 P10635 1/20 0.50
SCN9A Q15858 1/20 0.50
KMT2A Q03164 3/20 0.49

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
SCHEMBL3934931 0.85 ALDH1A1 (0.56) ALOX5ALDH1A1RAB9AATP4AATP4B
SCHEMBL6687941 0.85 LTA4H (0.61) ALOX5ALDH1A1ATP4AATP4BMAPT
SCHEMBL7437902 0.83 LMNA (0.61) ALDH1A1RAB9AMAPTLMNAHTT
SCHEMBL2734989 0.83 RAB9A (0.54) ALOX5ALDH1A1RAB9AMAPTLMNA
SCHEMBL6658975 0.83 RAB9A (0.61) ALOX5ALDH1A1RAB9AMAPTLMNA
SCHEMBL168593 0.83 ALDH1A1 (0.56) ALDH1A1RAB9AATP4AATP4BMAPT
SCHEMBL3088513 0.83 MAP2K3 (0.50) ALDH1A1RAB9AMAPTLMNAHTT
SCHEMBL5999161 0.83 LTA4H (0.54) ALOX5ALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL16238595 0.83 CYP3A4 (0.50) ALDH1A1RAB9ANPC1CYP3A4CYP2C9
SCHEMBL7436637 0.81 KDM4E (0.63) ALDH1A1MAPTSMN1; SMN2L3MBTL1CYP3A4

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-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US claimed
WO-2008101029-A2 USE OF THIAZOLE, OXAZOLE AND IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-21 WO claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
WO-2008101029-A2 USE OF THIAZOLE, OXAZOLE AND IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-21 WO disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
EP-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP disclosed
US-5462959-A 4-aryl-imidazole derivatives AKZO N.V. (NL) 1995-10-31 US disclosed
US-5254575-A 4-aryl-thiazole derivatives AKZO N.V. (NL) 1993-10-19 US disclosed
EP-0506194-A1 4-aryl-thiazole or imidazole derivatives Akzo Nobel N.V. (NL) 1992-09-30 EP 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 (3 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 ALOX5 535/4885ALDH1A1 2251/4885RAB9A 2543/4885
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALOX5 521/4885ALDH1A1 2533/4885RAB9A 2445/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALOX5 898/4885ALDH1A1 3279/4885RAB9A 2299/4885

“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.