SCHEMBL6541718

SCHEMBL6541718

O=C1CN(Cc2ccccc2)c2cc(Br)ccc2N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.70
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 5/20 0.43
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
BRD4 O60885 1/20 0.42
GAA P10253 2/20 0.41

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
SCHEMBL14481058 0.84 KMT2A (0.58) EPHX2HDAC2HDAC8HDAC6DDB1
SCHEMBL24200101 0.83 EPHX2 (1.00) EPHX2HDAC2HDAC8HDAC6DDB1
SCHEMBL29778121 0.83 EPHX2 (1.00) EPHX2HDAC2HDAC8HDAC6DDB1
SCHEMBL6541692 0.79 EPHX2 (0.62) EPHX2HDAC2HDAC8HDAC6KMT2A
SCHEMBL1884654 0.76 CYP11B1 (0.65) EPHX2HDAC2HDAC8HDAC6CYP1A2
SCHEMBL6540849 0.76 KMT2A (0.50) EPHX2MEN1KMT2ADRD3MAPK1
SCHEMBL29920528 0.74 EPHX2 (0.56) EPHX2HDAC2HDAC8HDAC6MAPK1
SCHEMBL17798058 0.74 EPHX2 (0.56) EPHX2HDAC2HDAC8HDAC6MAPK1
SCHEMBL9850086 0.74 DDB1 (0.69) EPHX2HDAC2HDAC8HDAC6DDB1
SCHEMBL1011633 0.74 DDB1 (0.69) EPHX2HDAC2HDAC8HDAC6DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3674300-B1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2022-10-12 EP disclosed
US-10010556-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-07-03 US disclosed
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2018-06-14 US disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 US disclosed
US-6794373-B2 ADMINISTERING TO A FEMALE OF CHILD BEARING AGE OVER A PERIOD OF 28 CONSECUTIVE DAYS A FIRST PHASE OF FROM 18 TO 21 DAILY DOSAGE UNITS OF A PROGESTATIONAL AGENT, AND A SECOND PHASE OF FROM 1 TO 7 DAILY DOSAGE UNITS OF AN ANTIPROGESTIN AGENT WYETH 2004-09-21 US disclosed
US-20020151531-A1 Contraceptive methods using benzimidazolones LIGAND PHARMACEUTICALS INCORPORATED 2002-10-17 US disclosed
US-20020115853-A1 Benzimidazolones and analogues WYETH 2002-08-22 US disclosed
US-6423699-B1 CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-07-23 US disclosed
US-6380235-B1 USEFUL AS PROGESTERONE RECEPTOR AGONISTS AND ANTAGONISTS, USED FOR CONTRACEPTION, IN THERAPY OF FIBROIDS, ENDOMETRIOSIS, BREAST, UTERINE, OVARIAN AND PROSTATE CANCER, AND POST MENOPAUSAL HORMONE REPLACEMENT THERAPY AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US 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 (6 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-10010556-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 EPHX2 2831/4885HDAC2 32/4885HDAC8 100/4885
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 EPHX2 2974/4885HDAC2 44/4885HDAC8 82/4885
US-20020151531-A1 Contraceptive methods using benzimidazolones PGR, GNRHR, NR4A1 EPHX2 3634/4885HDAC2 274/4885HDAC8 228/4885
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 EPHX2 2974/4885HDAC2 44/4885HDAC8 82/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 EPHX2 2974/4885HDAC2 44/4885HDAC8 82/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 EPHX2 3550/4885HDAC2 775/4885HDAC8 147/4885

“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.