SCHEMBL13115396

SCHEMBL13115396

CCCc1nc(-c2ccc(F)cc2)[nH]c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
RAB9A P51151 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPK14 Q16539 3/20 0.59
LMNA P02545 3/20 0.59
NFKB1 P19838 3/20 0.59
MAPK1 P28482 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPK13 O15264 1/20 0.59
RIPK2 O43353 1/20 0.59
GMNN O75496 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX5 P09917 1/20 0.59
THRB P10828 1/20 0.59
ALOX15 P16050 1/20 0.59
THPO P40225 1/20 0.59
MTOR P42345 1/20 0.59

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
SCHEMBL13115389 0.87 MAPK11 (0.49) MAPTRAB9AMAPK14LMNANFKB1
SCHEMBL13115392 0.82 MAPK14 (0.53) MAPTRAB9AMAPK14MAPK13TP53
SCHEMBL13115404 0.81 MAPK11 (0.61) MAPTMEN1KMT2AMAPK14LMNA
SCHEMBL13115238 0.79 MAPT (0.68) MAPTRAB9AMEN1KMT2AMAPK14
SCHEMBL13137669 0.79 ALOX5 (0.44) MAPTRAB9AMAPK14MAPK13TP53
SCHEMBL13115395 0.79 MAPK14 (0.58) RAB9AMAPK14MAPK13ALOX5MAPK12
SCHEMBL13115397 0.79 ALOX5 (0.58) MAPTMAPK14MAPK13TP53ALOX5
SCHEMBL13138374 0.78 MAPK14 (0.57) MEN1KMT2AMAPK14MAPK13ALOX5
SCHEMBL13115410 0.78 MAPK11 (0.41) MAPTRAB9AMAPK14LMNANFKB1
SCHEMBL13137171 0.77 ALOX5 (0.46) MAPK14MAPK13ALOX5MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 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 (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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 MAPT 2752/4885RAB9A 1677/4885MEN1 2380/4885

“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.