SCHEMBL4340702

SCHEMBL4340702

O=[N+]([O-])c1ccc(CCCc2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.71
MAPK11 Q15759 5/20 0.52
RAB9A P51151 2/20 0.52
MAPK13 O15264 2/20 0.52
MAPK12 P53778 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
RIPK2 O43353 1/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX5 P09917 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 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
SCHEMBL4337848 0.84 MAPK14 (0.79) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL4334246 0.83 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL6028318 0.80 SRC (0.55) MAPK14MAPK11RAB9AMAPK13MAPK12
SCHEMBL4343988 0.78 MAPK14 (0.81) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL14521804 0.77 MAPK14 (0.72) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL14521895 0.76 MAPK14 (0.70) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL14411792 0.76 MAPK14 (0.70) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL5258301 0.76 MAPK14 (0.66) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL5260149 0.76 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL14521805 0.76 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192164-A1 Treating agent of inflammatory bowel disease ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US claimed
EP-2044957-A1 TREATMENT AGENT FOR INFLAMMATORY BOWEL DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP claimed
US-20090192164-A1 Treating agent of inflammatory bowel disease ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
US-20090192164-A1 Treating agent of inflammatory bowel disease ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
US-20090192164-A1 Treating agent of inflammatory bowel disease ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
EP-2044957-A1 TREATMENT AGENT FOR INFLAMMATORY BOWEL DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
EP-2044957-A1 TREATMENT AGENT FOR INFLAMMATORY BOWEL DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-08 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 (1 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-20090192164-A1 Treating agent of inflammatory bowel disease MAPK6, SLC10A2, MAP3K6 MAPK14 13/4885MAPK11 50/4885RAB9A 1307/4885

“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.