SCHEMBL5357012

SCHEMBL5357012

O=C(Nc1ccccc1O)c1cccc([N+](=O)[O-])c1Cl

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 8/20 0.68
RORC P51449 1/20 0.60
NPC1 O15118 2/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PHGDH O43175 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL8055970 0.89 KCNMA1 (0.64) KCNMA1RORCGAAHTTCRHBP
SCHEMBL28069367 0.87 KCNMA1 (0.78) KCNMA1RORCNPC1LMNATP53
SCHEMBL7157849 0.86 KCNMA1 (0.72) KCNMA1RORCNPC1LMNATP53
SCHEMBL22722274 0.83 KCNMA1 (0.60) KCNMA1RORCGAAHTTCRHBP
SCHEMBL4045541 0.82 MEN1 (0.65) RORCNPC1LMNATP53GAA
SCHEMBL7759260 0.81 KCNMA1 (1.00) KCNMA1NPC1LMNATP53GAA
SCHEMBL8054226 0.80 CRHBP (0.58) KCNMA1NPC1LMNAHTTCRHBP
SCHEMBL8122020 0.80 NPC1 (0.67) KCNMA1RORCNPC1LMNATP53
SCHEMBL7159721 0.78 CRHBP (0.67) KCNMA1NPC1LMNACRHBPCRHR2
SCHEMBL27724656 0.78 MEN1 (0.57) KCNMA1GAAHTTL3MBTL1PHGDH

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-7229984-B2 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-06-12 US disclosed
US-7229984-B2 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-06-12 US disclosed
US-20060154914-A1 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-13 US disclosed
WO-2006061126-A2 DIBENZOXAZEPINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 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-20060154914-A1 Dibenzoxazepinone derivatives and uses thereof HTR6, BDKRB1, HTR7 KCNMA1 294/4885RORC 2718/4885NPC1 3148/4885

“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.