SCHEMBL1420162

SCHEMBL1420162

COc1ccc(-c2c(-c3ccc(O)cc3)n(C)c(=O)n2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.61
▸ GAA P10253 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ ATM Q13315 1/20 0.61
▸ ESR2 Q92731 1/20 0.60
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ APP P05067 2/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ COMT P21964 1/20 0.48
▸ ME2 P23368 1/20 0.47
▸ ME1 P48163 1/20 0.47
▸ ME3 Q16798 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ ESRRA P11474 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46

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
SCHEMBL1420047 0.91 MEN1 (0.59) KDM4EGAAMAPTTDP1ATM
SCHEMBL12169158 0.80 ACHE (0.50) KDM4EGAAMAPTTDP1ATM
SCHEMBL1341494 0.77 ESR2 (1.00) KDM4EGAAMAPTATMESR2
SCHEMBL15599404 0.77 ESR2 (1.00) KDM4EGAAMAPTATMESR2
SCHEMBL28162733 0.75 ESR2 (0.95) KDM4EGAAMAPTATMESR2
Mequinol SCHEMBL1535640 0.74 ESR2 (0.84) KDM4EGAATDP1ESR2MEN1
Mequinol SCHEMBL166535 0.74 ESR2 (0.84) KDM4EGAATDP1ESR2MEN1
1,4-Dimethoxybenzene SCHEMBL8351066 0.74 ESR2 (0.84) KDM4EGAATDP1ESR2MEN1
Mequinol SCHEMBL21009 0.74 — —
SCHEMBL14479780 0.73 ESR2 (0.61) KDM4EGAAMAPTTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 — — EP disclosed
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 — — EP disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 — — US disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 — — US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 — — US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 — — US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 — — US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 — — US disclosed
US-20140011808-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2014-01-09 — — US disclosed
US-20140011808-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2014-01-09 — — US disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 — — US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 — — US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 — — US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 — — US disclosed
EP-2297133-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2011-03-23 — — EP disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 — — US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 — — US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 — — US disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 — — WO disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 — — 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-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A KDM4E 1865/4885GAA 116/4885MAPT 476/4885
US-20140011808-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A KDM4E 1865/4885GAA 116/4885MAPT 476/4885
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A KDM4E 1865/4885GAA 116/4885MAPT 476/4885
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A KDM4E 1865/4885GAA 116/4885MAPT 476/4885

“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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