SCHEMBL6986880

SCHEMBL6986880

CC(C)(C)OC(=O)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.72
GABRA1 P14867 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRB2 P47870 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CREBBP Q92793 1/20 0.43

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
SCHEMBL31618837 0.89 NR4A2 (0.56) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL6991795 0.84 NR4A2 (0.51) NR4A2CREBBP
SCHEMBL31435646 0.84 NR4A2 (1.00) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL498070 0.84 NR4A2 (1.00) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL6699986 0.83 NR4A2 (0.72) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL1007089 0.83 NR4A2 (0.50) NR4A2CREBBP
SCHEMBL15557355 0.83 KDM4E (0.54) NR4A2GABRA1GABRA3MTNR1AMTNR1B
SCHEMBL4375343 0.83 GABRG2 (0.53) NR4A2GABRA1GABRA3CREBBP
SCHEMBL5960313 0.82 HSD17B10 (0.50) NR4A2GABRA1GABRA3L3MBTL1CREBBP
SCHEMBL6630345 0.82 NR4A2 (0.49) NR4A2GABRA1GABRA3L3MBTL1CREBBP

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
EP-2794597-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2014-10-29 EP disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 WO disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 WO disclosed
CN-102285887-A Method for preparing nitro-substituted diphenylmethane and derivative thereof 2011-12-21 CN disclosed
CN-101243075-A Novel 2,3-dihydroindole compounds LUNDBECK & CO AS H (DK) 2008-08-13 CN disclosed
CN-1245385-C indole and indoline derivatives HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
CN-1733723-A Indole and dihydroindole derivatives HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
CN-1476432-A indole and indoline derivatives - 2004-02-18 CN disclosed
EP-1349833-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
WO-2002044149-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-06 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 (2 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-20170305917-A1 COMPOUNDS F11, F12, F10 NR4A2 3194/4885GABRA1 4569/4885GABRB1 4583/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 NR4A2 2611/4885GABRA1 3935/4885GABRB1 4052/4885

“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.