SCHEMBL5366499

SCHEMBL5366499

O=C1c2cccc(N3CCNCC3)c2Oc2ccccc2N1Cc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.58
▸ KDM4E B2RXH2 4/20 0.46
▸ UBE2N P61088 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CYP1B1 Q16678 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL5364893 0.89 HTR6 (0.65) HTR6TDP1ALDH1A1MAPTL3MBTL1
SCHEMBL5361817 0.83 HTR6 (0.64) HTR6POLBSMN1; SMN2MEN1MAPT
SCHEMBL5366734 0.83 HTR6 (0.64) HTR6SMN1; SMN2KMT2AADRB1
SCHEMBL5357019 0.83 HTR6 (0.64) HTR6KDM4EPOLBSMN1; SMN2MEN1
SCHEMBL5366505 0.83 HTR6 (0.74) HTR6UBE2NTDP1ALDH1A1POLB
SCHEMBL5361156 0.83 HTR6 (0.68) HTR6UBE2NATML3MBTL1LMNA
SCHEMBL5363785 0.82 HTR6 (0.62) HTR6MAPTADRB1DRD2DRD3
SCHEMBL5360234 0.82 HTR6 (0.83) HTR6ATMALDH1A1SMN1; SMN2MAPT
SCHEMBL8263965 0.82 HTR6 (0.56) HTR6ATMADRB1DRD2DRD4
SCHEMBL5361814 0.81 HTR6 (0.61) HTR6KDM4EATMALDH1A1POLB

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 7 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 claimed
US-20060154914-A1 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-13 — — US claimed
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-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 HTR6 1/4885KDM4E 1879/4885UBE2N 2414/4885

“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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