SCHEMBL4075116

SCHEMBL4075116

N#Cc1ccc(OCc2ccccc2)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.74
MRGPRX4 Q96LA9 4/20 0.70
IMPDH2 P12268 1/20 0.57
MAOA P21397 1/20 0.54
ALOX5 P09917 1/20 0.51
AR P10275 1/20 0.51
ALDH1A1 P00352 1/20 0.48
AS3MT Q9HBK9 2/20 0.48
NSD2 O96028 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PRMT5 O14744 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4206299 0.85 MRGPRX4 (0.71) MAOBMRGPRX4IMPDH2MAOAAR
SCHEMBL3648539 0.85 MAOB (1.00) MAOBMRGPRX4IMPDH2MAOAALOX5
SCHEMBL27548050 0.85 MRGPRX4 (0.56) MAOBMRGPRX4MAOAAR
SCHEMBL4202298 0.84 MRGPRX4 (0.66) MAOBMRGPRX4MAOAAR
SCHEMBL4635768 0.84 MRGPRX4 (0.55) MAOBMRGPRX4MAOAARNSD2
SCHEMBL22480548 0.83 MRGPRX4 (1.00) MRGPRX4RAB9ASMN1; SMN2
SCHEMBL3865512 0.83 MAOB (0.77) MAOBMRGPRX4IMPDH2MAOAALOX5
SCHEMBL4260225 0.83 MAOB (0.77) MAOBMRGPRX4IMPDH2MAOAALOX5
SCHEMBL23887978 0.81 MAOB (0.74) MAOBMRGPRX4IMPDH2MAOAALOX5
SCHEMBL14677247 0.81 MAOB (0.74) MAOBMRGPRX4IMPDH2MAOAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 US disclosed
US-7780870-B2 Liquid crystal composition, liquid crystal element, and siloxane polymer FUJIFILM CORPORATION (JP) 2010-08-24 US disclosed
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1778686-B9 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2009-07-08 EP disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
US-7511057-B2 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. (US) 2009-03-31 US disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
WO-2008099019-A1 6-HYDROXY-DIBENZODIAZEPINONES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 WO disclosed
WO-2008099022-A1 10-SULFONYL-DIBENZODIAZEPINONES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 WO disclosed
WO-2008099022-A1 10-SULFONYL-DIBENZODIAZEPINONES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 WO disclosed
US-20080152843-A1 Liquid Crystal Composition, Liquid Crystal Element, and Siloxane Polymer FUJIFILM CORPORATION (JP) 2008-06-26 US disclosed
EP-1778686-A2 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS Pfizer Limited (GB) 2007-05-02 EP disclosed
WO-2007017754-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2007-02-15 WO disclosed
WO-2006018718-A2 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LIMITED (GB) 2006-02-23 WO disclosed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 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 (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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 MAOB 2207/4885MRGPRX4 304/4885IMPDH2 2334/4885
US-20090170886-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG MAOB 1336/4885MRGPRX4 1139/4885IMPDH2 3505/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 MAOB 2147/4885MRGPRX4 338/4885IMPDH2 2436/4885

“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.