SCHEMBL11273206

SCHEMBL11273206

O=Cc1c(OC(F)F)ccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
RAB9A P51151 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 2/20 0.54
GAA P10253 1/20 0.54
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ERN1 O75460 1/20 0.50
DRD1 P21728 1/20 0.43
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 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
SCHEMBL3267842 0.83 MAPT (1.00) MAPTCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL1002660 0.77 MAPT (0.68) MAPTCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL11309890 0.77 MAPT (0.63) MAPTCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL29708058 0.77 MAPT (0.68) MAPTCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL2563368 0.77 CYP1A2 (0.71) MAPTCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL2556427 0.76 MAPT (0.69) MAPTCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL12290142 0.76 MAPT (0.71) MAPTCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL31573992 0.75 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL28324871 0.75 MAPT (0.59) MAPTCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL10458182 0.74 L3MBTL1 (0.71) MAPTCYP1A2CYP2C9CYP2C19RAB9A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071562-B1 TETRAHYDRO-BENZODIAZEPINONES HOFFMANN LA ROCHE (CH) 2020-10-14 EP disclosed
CN-106029650-B Tetrahydro-benzodiazepine * ketone 豪夫迈·罗氏有限公司 2019-10-25 CN disclosed
US-10053431-B2 Tetrahydro-benzodiazepinones HOFFMANN-LA ROCHE INC. (US) 2018-08-21 US disclosed
CN-104470905-B The miscellaneous azepine * assimilation compounds of substitution 霍夫曼-拉罗奇有限公司 2017-09-12 CN disclosed
CN-106029650-A Tetrahydro-benzodiazepinones 豪夫迈·罗氏有限公司 2016-10-12 CN disclosed
EP-3071562-A1 TETRAHYDRO-BENZODIAZEPINONES F. Hoffmann-La Roche AG (CH) 2016-09-28 EP disclosed
US-20160272596-A1 TETRAHYDRO-BENZODIAZEPINONES HOFFMANN-LA ROCHE INC. 2016-09-22 US disclosed
US-9394263-B2 Substituted hetero-azepinones F. HOFFMANN-LA ROCHE AG (CH) 2016-07-19 US disclosed
US-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES HOFFMAN-LA ROCHE INC. (US) 2015-12-17 US disclosed
EP-2882725-A1 SUBSTITUTED HETERO-AZEPINONES F. Hoffmann-La Roche AG (CH) 2015-06-17 EP disclosed
WO-2015071393-A1 TETRAHYDRO-BENZODIAZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2015-05-21 WO disclosed
CN-104470905-A Substituted hetero-azepinones HOFFMANN LA ROCHE 2015-03-25 CN disclosed
WO-2014023708-A1 SUBSTITUTED HETERO-AZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 WO disclosed
US-4316989-A Process for preparing difluoromethoxy derivatives of aromatic aldehydes FIALKOV JURY A 1982-02-23 US 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 (3 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-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES CCNY, CCNE1, CCND3 MAPT 4794/4885CYP1A2 544/4885CYP2C9 713/4885
US-10053431-B2 Tetrahydro-benzodiazepinones GABBR1, TPH1, GABBR2 MAPT 2980/4885CYP1A2 108/4885CYP2C9 166/4885
US-20160272596-A1 TETRAHYDRO-BENZODIAZEPINONES GABBR1, TPH1, GABBR2 MAPT 2980/4885CYP1A2 108/4885CYP2C9 166/4885

“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.