SCHEMBL1708309

SCHEMBL1708309

Nc1cccc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 2/20 0.53
▸ MAPT P10636 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HPD P32754 5/20 0.46
▸ APP P05067 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ HTR1A P08908 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ CYP19A1 P11511 2/20 0.44
▸ PPIA P62937 1/20 0.44
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43

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
SCHEMBL15013285 0.89 MAPT (0.55) MGMTMAPTMAPK1TDP1L3MBTL1
SCHEMBL9528862 0.83 HTR1A (0.54) MGMTMAPTMAPK1TDP1L3MBTL1
SCHEMBL11546354 0.82 NPC1 (0.41) MGMTMAPTTDP1MEN1KMT2A
SCHEMBL11547467 0.82 NPC1 (0.53) MGMTMAPTMAPK1TDP1MEN1
SCHEMBL29617906 0.82 HPD (0.52) MGMTMAPTMAPK1TDP1L3MBTL1
SCHEMBL1121791 0.82 HPD (0.49) MGMTMAPTMAPK1TDP1L3MBTL1
SCHEMBL647866 0.82 TDP1 (0.56) MGMTMAPTMAPK1TDP1L3MBTL1
SCHEMBL15536327 0.82 PIN1 (0.50) MGMTMAPTMAPK1TDP1L3MBTL1
SCHEMBL30318898 0.82 HPD (0.49) MGMTMAPTMAPK1TDP1L3MBTL1
SCHEMBL29617955 0.82 MAPT (0.47) MGMTMAPTMAPK1TDP1L3MBTL1

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 — — US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 — — EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 — — 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R MGMT 3307/4885MAPT 4721/4885MAPK1 326/4885

“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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