SCHEMBL8221617

SCHEMBL8221617

N#Cc1cnn2c(-c3cccc([N+](=O)[O-])c3)cc(=O)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 9/20 0.51
▸ KDM4D Q6B0I6 1/20 0.51
▸ MAPT P10636 2/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL14264666 0.80 PLAT (0.53) PLATKDM4DKDM4EALDH1A1
SCHEMBL8226808 0.76 KDM4E (0.49) MAPTKDM4EALDH1A1GAA
SCHEMBL9468732 0.76 KDM4E (0.64) KDM4DMAPTKDM4EALDH1A1GAA
SCHEMBL11735776 0.68 ALDH1A1 (0.59) MAPTIDO1KDM4EALDH1A1GAA
SCHEMBL17738495 0.68 PLAT (1.00) PLAT
SCHEMBL6435365 0.66 TSHR (0.53) MAPTIDO1ALDH1A1
SCHEMBL10887360 0.65 KDM4E (0.63) MAPTIDO1KDM4EALDH1A1
SCHEMBL12953361 0.65 KDM4E (0.43) PLATKDM4DMAPTKDM4EALDH1A1
SCHEMBL17821034 0.65 PLAT (0.46) PLATKDM4DKDM4EALDH1A1
SCHEMBL7276378 0.65 LMNA (0.52) MAPTKDM4EALDH1A1GAA

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-20080058351-A1 Deuterated pyrazolo(1,5-a)pyrimidine compounds; sedative or hypnotic agents; sleep disorders such as insomnia; modulating a GABA receptor-chloride ionophore complex in a cell through binding to the neurosteroid site on the complex CONCERT PHARMACEUTICALS INC. (US) 2008-03-06 — — US disclosed
WO-2008005471-A2 NOVEL HETEROBICYCLIC COMPOUNDS CONCERT PHARMACEUTICALS INC. (US) 2008-01-10 — — 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-20080058351-A1 Deuterated pyrazolo(1,5-a)pyrimidine compounds; sedative or hypnotic agents; sleep disorders such as insomnia; modulating a GABA receptor-chloride ionophore complex in a cell through binding to the neurosteroid site on the complex GABRA5, GABRA1, GABRA4 PLAT 4164/4885KDM4D 2581/4885MAPT 3592/4885

“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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