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SCHEMBL4628903

SCHEMBL4628903

COc1ccc(CN2C(=O)C(C)=C(Br)C2=O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 3/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TP53 P04637 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPK10 P53779 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ UTS2R Q9UKP6 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
SCHEMBL8242388 0.78 KMT2A (0.52) KMT2AALDH1A1LMNASMN1; SMN2TP53
SCHEMBL4854039 0.78 NR1H3 (0.62) KMT2AALDH1A1LMNATP53MAPT
SCHEMBL3470063 0.77 RGS4 (0.55) KMT2AALDH1A1LMNAHSP90AA1SMN1; SMN2
SCHEMBL1542663 0.75 HSP90AA1 (0.71) KMT2AALDH1A1LMNAHSP90AA1SMN1; SMN2
SCHEMBL13698258 0.74 KMT2A (0.55) KMT2AALDH1A1LMNAHSP90AA1SMN1; SMN2
SCHEMBL2083210 0.74 KMT2A (0.45) KMT2AALDH1A1LMNAHSP90AA1SMN1; SMN2
SCHEMBL10341825 0.74 KMT2A (0.57) KMT2AALDH1A1LMNAHSP90AA1SMN1; SMN2
SCHEMBL30830857 0.72 KMT2A (0.71) KMT2AALDH1A1LMNAHSP90AA1SMN1; SMN2
SCHEMBL27721661 0.71 LMNA (0.53) KMT2AALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL25113752 0.70 ALDH1A1 (0.43) KMT2AALDH1A1LMNAHSP90AA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 — — US disclosed
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 — — US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
EP-3092227-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-11-16 — — EP disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO disclosed
US-7863299-B2 Triazolyl derivatives of azabicyclo [3.1.0] hexane as dopamine D3 receptor modulators GLAXO GROUP LIMITED (GB) 2011-01-04 — — US disclosed
US-7863299-B2 Triazolyl derivatives of azabicyclo [3.1.0] hexane as dopamine D3 receptor modulators GLAXO GROUP LIMITED (GB) 2011-01-04 — — US disclosed
US-20080242715-A1 Triazolyl Derivatives of Azabicyclo [3.1.0] Hexane as Dopamine D3 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-02 — — US disclosed
US-20080242715-A1 Triazolyl Derivatives of Azabicyclo [3.1.0] Hexane as Dopamine D3 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-02 — — US disclosed
EP-1917261-A1 TRIAZOLYL DERIVATIVES OF AZABICYCLO [3.1.0] HEXANE AS DOPAMINE D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2008-05-07 — — EP disclosed
WO-2007022936-A1 TRIAZOLYL DERIVATIVES OF AZABICYCLO [3.1.0] HEXANE AS DOPAMINE D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2007-03-01 — — WO disclosed
WO-2007022936-A1 TRIAZOLYL DERIVATIVES OF AZABICYCLO [3.1.0] HEXANE AS DOPAMINE D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2007-03-01 — — 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 (5 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 KMT2A 1208/4885ALDH1A1 2949/4885LMNA 823/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 KMT2A 1208/4885ALDH1A1 2949/4885LMNA 823/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 KMT2A 1208/4885ALDH1A1 2949/4885LMNA 823/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 KMT2A 1208/4885ALDH1A1 2949/4885LMNA 823/4885
US-20080242715-A1 Triazolyl Derivatives of Azabicyclo [3.1.0] Hexane as Dopamine D3 Receptor Modulators CHRM1, CHRM5, CHRM2 KMT2A 4329/4885ALDH1A1 2182/4885LMNA 4171/4885

“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.