SCHEMBL4220114

SCHEMBL4220114

O=C1c2ccccc2COc2cc(Nc3cccc([N+](=O)[O-])c3)ccc21

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.68
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
MPI P34949 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL4225477 0.91 MAPK14 (0.64) MAPK14
SCHEMBL4224566 0.85 MAPK14 (0.60) MAPK14MAPTSMN1; SMN2
SCHEMBL4220066 0.84 MAPK14 (0.74) MAPK14
SCHEMBL4226941 0.82 MAPK14 (0.68) MAPK14
SCHEMBL4217396 0.81 MAPK14 (1.00) MAPK14
SCHEMBL2314885 0.81 MAPK14 (0.57) MAPK14
SCHEMBL13890762 0.79 MAPK14 (0.71) MAPK14
SCHEMBL4220120 0.78 MAPK14 (0.81) MAPK14
SCHEMBL4217780 0.78 PTPRC (0.51) MAPK14NPC1ALDH1A1MAPTRAB9A
SCHEMBL4219691 0.78 MAPK14 (0.74) MAPK14

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-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
EP-1881968-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2008-01-30 EP disclosed
WO-2006120010-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2006-11-16 WO 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 3479/4885NPC1 668/4885ALDH1A1 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.