SCHEMBL12653142

SCHEMBL12653142

COc1cc(Cl)c(C)c(Cl)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
PTGS2 P35354 1/20 0.39
GAA P10253 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38

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
SCHEMBL9348568 0.84 ACHE (0.50) ACHECYP3A4MAPTCA9ALDH1A1
SCHEMBL11560455 0.83 ACHE (0.48) ACHECYP3A4MAPTCA9ALDH1A1
SCHEMBL14547566 0.83 ACHE (0.48) ACHECYP3A4MAPTCA9ALDH1A1
SCHEMBL23972200 0.82 ALDH1A1 (0.37) ACHECYP3A4MAPTALDH1A1HPGD
SCHEMBL171097 0.82 GAA (0.40) ACHECYP3A4MAPTALDH1A1HPGD
SCHEMBL6288225 0.82 ACHE (0.46) ACHECYP3A4MAPTCA9ALDH1A1
SCHEMBL6217124 0.78 ACHE (0.43) ACHECYP3A4MAPTCA9ALDH1A1
SCHEMBL14513340 0.77 AKR1B1 (0.47) CYP3A4MAPTCA9PTGS2GAA
SCHEMBL6810942 0.77 GAA (0.45) ACHECYP3A4ALDH1A1GAATUBB4A
SCHEMBL13747922 0.75 ACHE (0.40) ACHECYP3A4MAPTCA9ALDH1A1

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-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 EP disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
WO-2019070943-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-11 WO disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
WO-2016073903-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-05-12 WO disclosed
WO-2016022970-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-11 WO disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-7951809-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-20090203702-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-13 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 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 (7 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 ACHE 4661/4885CYP3A4 4206/4885MAPT 4007/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A ACHE 3258/4885CYP3A4 3930/4885MAPT 3357/4885
US-20090203702-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 ACHE 4735/4885CYP3A4 4859/4885MAPT 1883/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 ACHE 4247/4885CYP3A4 4229/4885MAPT 3666/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A ACHE 3258/4885CYP3A4 3930/4885MAPT 3357/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 ACHE 4715/4885CYP3A4 3714/4885MAPT 4247/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ACHE 4715/4885CYP3A4 3714/4885MAPT 4247/4885

“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.