SCHEMBL4331518

SCHEMBL4331518

O=C(Nc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)C(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.43
MAPK11 Q15759 7/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK1 P28482 4/20 0.38
MAPK13 O15264 4/20 0.37
MAPK12 P53778 4/20 0.37
ALOX5 P09917 3/20 0.37
MEN1 O00255 1/20 0.37
RIPK2 O43353 1/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL4336943 0.84 MAPK14 (0.46) MAPK14MAPK11KCNH2MAPK1MAPK13
SCHEMBL6178772 0.83 MAPK14 (0.61) MAPK14MAPK11MAPK1MAPK13MAPK12
SCHEMBL6178126 0.80 MAPK14 (0.46) MAPK14LMNAMAPT
SCHEMBL4331508 0.76 MAPK14 (0.48) MAPK14MEN1ALDH1A1CYP3A4MAPT
SCHEMBL4334250 0.76 MAPK14 (0.67) MAPK14MAPK11KCNH2MAPK13MAPK12
SCHEMBL14411015 0.71 MAPK14 (0.49) MAPK14MAPK11KCNH2MAPK13MAPK12
SCHEMBL4336938 0.71 MAPK14 (0.56) MAPK14MAPK11KCNH2MAPK1MEN1
SCHEMBL13785091 0.69 MAPK14 (0.48) MAPK14MAPK11KCNH2MEN1RAB9A
SCHEMBL13785093 0.69 MAPK14 (0.55) MAPK14MAPK11KCNH2MAPK1MAPK13
SCHEMBL6178434 0.68 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK12LMNA

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 4 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
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 50/4885KCNH2 4608/4885

“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.