SCHEMBL4688913

SCHEMBL4688913

O=[N+]([O-])c1cccnc1N1CCCNCC1

nearest known ligand 0.89

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.76
CYP2C9 P11712 2/20 0.76
CYP2C19 P33261 1/20 0.76
LMNA P02545 1/20 0.63
MAPT P10636 5/20 0.62
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.53
GRM5 P41594 2/20 0.53
HSD11B1 P28845 1/20 0.52

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
SCHEMBL2898307 0.94 CYP1A2 (0.75) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL6708175 0.87 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL5795083 0.87 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL29577310 0.87 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL19217686 0.86 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19LMNAMAPT
Hydrochloric Acid SCHEMBL27538332 0.86 CYP1A2 (0.97) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL781659 0.84 CYP1A2 (0.87) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL10776859 0.81 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL3434185 0.80 LMNA (0.73) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL14377458 0.78 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19LMNAMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226124-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2017-08-10 US disclosed
WO-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP disclosed
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 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
EP-1660491-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP 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
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-20170226124-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 CYP1A2 548/4885CYP2C9 1361/4885CYP2C19 970/4885
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis LTA4H, LTC4S, LTB4R CYP1A2 1031/4885CYP2C9 750/4885CYP2C19 979/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R CYP1A2 2109/4885CYP2C9 2896/4885CYP2C19 2191/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 CYP1A2 1019/4885CYP2C9 1256/4885CYP2C19 1156/4885

“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.