SCHEMBL4319441

SCHEMBL4319441

Oc1ccc(Cc2nc3ccccc3s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
ALDH1A1 P00352 4/20 0.64
L3MBTL1 Q9Y468 4/20 0.64
KDM4E B2RXH2 3/20 0.64
KMT2A Q03164 3/20 0.64
LMNA P02545 2/20 0.64
GAA P10253 2/20 0.64
MEN1 O00255 2/20 0.64
HTT P42858 2/20 0.64
POLB P06746 1/20 0.64
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
GLA P06280 1/20 0.58
HSD17B10 Q99714 3/20 0.56
HPGD P15428 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
HIF1A Q16665 1/20 0.56

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
SCHEMBL1903062 0.87 UBE2T (0.54) MAPTALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL1127709 0.86 UBE2T (0.61) MAPTALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL28984544 0.83 KDM4E (0.56) MAPTALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL1904314 0.83 UBE2T (0.54) MAPTALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL30306722 0.83 PTGS1 (0.57) MAPTALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL30306697 0.83 KDM4E (0.56) MAPTALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL9306082 0.83 SMN1; SMN2 (0.61) MAPTALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL28984550 0.83 PTGS1 (0.57) MAPTALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL9018537 0.83 UBE2T (0.54) MAPTALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL4726116 0.83 UBE2T (0.59) MAPTALDH1A1L3MBTL1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948081-A A kind of Ratiometric fluorescent probe measuring alkaline phosphatase and its synthetic method and application 青岛科技大学 2018-12-07 CN claimed
CN-108948081-A A kind of Ratiometric fluorescent probe measuring alkaline phosphatase and its synthetic method and application 青岛科技大学 2018-12-07 CN disclosed
CN-101312948-B Biaryl substituted heterocycle inhibitors of lTA4H for treating inflammation DECODE GENETICS EHF 2015-01-14 CN disclosed
EP-1926708-B1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2014-06-18 EP disclosed
US-8598359-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2013-12-03 US disclosed
CN-100591679-C Benzimidazole, benzthiazole and benzoxazole derivatives and their use as lta4h modulators JANSSEN PHARMACEUTICA NV 2010-02-24 CN disclosed
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF (IS) 2009-06-25 US disclosed
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF (IS) 2009-06-25 US disclosed
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF (IS) 2009-06-25 US disclosed
CN-101312948-A Biaryl substituted heterocycle inhibitors of lta4h for treating inflammation DECODE GENETICS EHF (IS) 2008-11-26 CN disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 US disclosed
WO-2005012297-A9 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-01-04 WO disclosed
CN-1860117-A Benzimidazole, benzthiazole and benzoxazole derivatives and their use as lta4h modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-08 CN disclosed
CN-1856490-A Benzimidazole, benzothiazole and benzoxazole derivatives and their use as LTA4H modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-01 CN disclosed
EP-1660492-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS Janssen Pharmaceutica N.V. (BE) 2006-05-31 EP disclosed
EP-1660491-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
US-20050043379-A1 LTA4H Modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US disclosed
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US disclosed
WO-2005012297-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO disclosed
WO-2005012296-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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 (4 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-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S MAPT 4737/4885ALDH1A1 441/4885L3MBTL1 1534/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S MAPT 4737/4885ALDH1A1 441/4885L3MBTL1 1534/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R MAPT 3103/4885ALDH1A1 701/4885L3MBTL1 1348/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 MAPT 3825/4885ALDH1A1 1306/4885L3MBTL1 1782/4885

“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.