SCHEMBL4225830

SCHEMBL4225830

O=C1c2ccccc2CSc2cc(Nc3ccccc3[N+](=O)[O-])ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.69
▸ MAPK1 P28482 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPK13 O15264 2/20 0.45
▸ MAPK12 P53778 2/20 0.45
▸ MAPK11 Q15759 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ EPAS1 Q99814 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ACHE P22303 1/20 0.40

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
SCHEMBL4225375 0.82 MAPK14 (0.65) MAPK14MAPK1ALDH1A1TDP1CASP7
SCHEMBL4224487 0.81 MAPK14 (1.00) MAPK14AKR1B1MAPK13MAPK12MAPK11
SCHEMBL4226941 0.79 MAPK14 (0.68) MAPK14
SCHEMBL4215203 0.78 MAPK14 (0.69) MAPK14MAPK1ALDH1A1TDP1CASP7
SCHEMBL2314885 0.73 MAPK14 (0.57) MAPK14
SCHEMBL4222105 0.72 MAPK14 (0.60) MAPK14ALDH1A1AKR1B1MAPTMEN1
SCHEMBL5286182 0.71 MAPK1 (0.51) MAPK14MAPK1ALDH1A1TDP1CASP7
SCHEMBL23059073 0.70 MAPK14 (0.61) MAPK14
SCHEMBL11506844 0.70 ALDH1A1 (0.89) MAPK14MAPK1ALDH1A1TDP1CASP7
SCHEMBL7167600 0.69 TDP1 (0.79) MAPK14MAPK1ALDH1A1TDP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds MERCKLE GMBH (DE) 2009-04-23 — — US disclosed
US-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds MERCKLE GMBH (DE) 2009-04-23 — — US disclosed
US-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds MERCKLE GMBH (DE) 2009-04-23 — — 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-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds BDKRB1, IL1R1, IL1A MAPK14 3479/4885MAPK1 801/4885ALDH1A1 420/4885

“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.

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