SCHEMBL15414554

SCHEMBL15414554

FC(F)(F)COc1ccc2ccccc2c1CCl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 4/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ XIAP P98170 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PRMT5 O14744 2/20 0.37
▸ WDR77 Q9BQA1 2/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37

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
SCHEMBL15414500 0.84 SLC2A1 (0.58) SLC2A1HTTKMT2AMEN1KDM4E
SCHEMBL28006237 0.80 SLC2A1 (0.57) SLC2A1HTTKDM4EXIAP
SCHEMBL15413796 0.79 MAPK1 (0.50) L3MBTL1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL5077405 0.78 SLC2A1 (0.51) SLC2A1HTTKMT2AKDM4E
SCHEMBL2130156 0.76 HTT (0.56) SLC2A1HTTKMT2AMEN1KDM4E
SCHEMBL8876988 0.76 NPC1 (0.57) L3MBTL1HTTKMT2AMEN1KDM4E
SCHEMBL15414672 0.75 HPGD (0.56) L3MBTL1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL4698919 0.75 MAPT (0.58) L3MBTL1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL28534417 0.75 L3MBTL1 (0.52) L3MBTL1KMT2AMEN1KDM4EMAPT
SCHEMBL15414421 0.74 NPC1 (0.62) SLC2A1L3MBTL1HTTKMT2AMEN1

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 16 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
US-10053431-B2 Tetrahydro-benzodiazepinones HOFFMANN-LA ROCHE INC. (US) 2018-08-21 — — US disclosed
EP-2872490-B1 ANTIPROLIFERATIVE BENZO[B]AZEPIN-2-ONES HOFFMANN LA ROCHE (CH) 2018-02-07 — — EP disclosed
US-9611224-B2 Antiproliferative benzo [B] azepin-2-ones HOFFMANN-LA ROCHE INC. (US) 2017-04-04 — — US 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-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
US-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES HOFFMAN-LA ROCHE INC. (US) 2015-12-17 — — US disclosed
US-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES HOFFMAN-LA ROCHE INC. (US) 2015-12-10 — — US disclosed
WO-2015071393-A1 TETRAHYDRO-BENZODIAZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2015-05-21 — — WO disclosed
EP-2872490-A1 ANTIPROLIFERATIVE BENZO [B]AZEPIN- 2 - ONES F. Hoffmann-La Roche AG (CH) 2015-05-20 — — EP disclosed
CN-104507913-A Antiproliferative benzo[b]azepin-2-ones HOFFMANN LA ROCHE 2015-04-08 — — CN disclosed
WO-2014023708-A1 SUBSTITUTED HETERO-AZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 — — WO disclosed
WO-2014009495-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN- 2 - ONES F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 — — 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 (4 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 SLC2A1 3927/4885L3MBTL1 1802/4885HTT 1534/4885
US-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES CCNY, RB1, TOP2B SLC2A1 4478/4885L3MBTL1 1338/4885HTT 3879/4885
US-10053431-B2 Tetrahydro-benzodiazepinones GABBR1, TPH1, GABBR2 SLC2A1 4134/4885L3MBTL1 2441/4885HTT 2894/4885
US-20160272596-A1 TETRAHYDRO-BENZODIAZEPINONES GABBR1, TPH1, GABBR2 SLC2A1 4134/4885L3MBTL1 2441/4885HTT 2894/4885

“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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