SCHEMBL13736636

SCHEMBL13736636

c1cn(CC2CNC2)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.61
TBXAS1 P24557 6/20 0.42
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 4/20 0.41
ALDH1A1 P00352 1/20 0.38
CYP19A1 P11511 4/20 0.37
FDPS P14324 2/20 0.37
EGLN3 Q9H6Z9 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
QPCT Q16769 1/20 0.36
CYP4Z1 Q86W10 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
GGPS1 O95749 2/20 0.36
BTN3A1 O00481 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL14254664 0.85 CYP2B6 (0.59) CYP2B6TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL14254668 0.85 CYP2B6 (0.59) CYP2B6TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL7664060 0.85 CYP2B6 (0.59) CYP2B6TBXAS1CYP11B1CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL17048494 0.84 CYP2B6 (0.57) CYP2B6TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL2961712 0.83 CYP2B6 (0.65) CYP2B6TBXAS1CYP19A1
SCHEMBL14254658 0.83 CYP2B6 (0.65) CYP2B6TBXAS1CYP19A1
SCHEMBL2961709 0.83 CYP2B6 (0.65) CYP2B6TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL27926211 0.81 CYP2B6 (0.63) CYP2B6TBXAS1CYP19A1
SCHEMBL3019994 0.81
SCHEMBL1088292 0.81 CYP2B6 (0.68) CYP2B6TBXAS1CYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151256-B Novel compounds for the treatment of diseases associated with DUX4 expression 因维戈疗法有限公司 2024-08-20 CN disclosed
US-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-02-16 US disclosed
US-11572368-B2 Inhibitors of histone deacetylase THE GENERAL HOSPITAL CORPORATION (US) 2023-02-07 US disclosed
EP-4065107-A1 NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2022-10-05 EP disclosed
CN-115151256-A Novel compounds for the treatment of diseases associated with DUX expression FACIO知识产权有限公司 2022-10-04 CN disclosed
WO-2021105474-A1 NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 WO disclosed
US-10662199-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2020-05-26 US disclosed
EP-2701699-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2019-10-16 EP disclosed
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-04-12 US disclosed
US-9890172-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2018-02-13 US disclosed
US-20180016282-A9 INHIBITORS OF HISTONE DEACETYLASE HOWARD HUGHES MEDICAL INSTITUTE 2018-01-18 US disclosed
US-20170217955-A9 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2017-08-03 US disclosed
US-20160347761-A1 INHIBITORS OF HISTONE DEACETYLASE THE GENERAL HOSPITAL CORP D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2016-12-01 US disclosed
US-9447030-B2 Inhibitors of histone deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-20160251351-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2016-09-01 US disclosed
US-9365498-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2016-06-14 US disclosed
US-20140080800-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
US-20140080802-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
EP-2701699-A1 INHIBITORS OF HISTONE DEACETYLASE The Broad Institute, Inc. (US) 2014-03-05 EP disclosed
WO-2012149540-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE INC (US) 2012-11-01 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 (10 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-20140080800-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 CYP2B6 1845/4885TBXAS1 2364/4885CYP11B1 1532/4885
US-20160347761-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 CYP2B6 1845/4885TBXAS1 2364/4885CYP11B1 1532/4885
US-10662199-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 CYP2B6 1845/4885TBXAS1 2364/4885CYP11B1 1532/4885
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 CYP2B6 1845/4885TBXAS1 2364/4885CYP11B1 1532/4885
US-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 CYP2B6 1845/4885TBXAS1 2364/4885CYP11B1 1532/4885
US-20160251351-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 CYP2B6 2035/4885TBXAS1 2270/4885CYP11B1 1319/4885
US-20140080802-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 CYP2B6 1845/4885TBXAS1 2364/4885CYP11B1 1532/4885
US-20170217955-A9 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 CYP2B6 2035/4885TBXAS1 2270/4885CYP11B1 1319/4885
US-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression SMN1; SMN2, UTRN, DDX21 CYP2B6 4580/4885TBXAS1 851/4885CYP11B1 3958/4885
US-20180016282-A9 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 CYP2B6 1845/4885TBXAS1 2364/4885CYP11B1 1532/4885

“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.