SCHEMBL15935183

SCHEMBL15935183

CC(C)(C)c1ccccc1-c1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 1/20 0.33
CA2 P00918 1/20 0.32
KIF11 P52732 1/20 0.32
HSD11B1 P28845 1/20 0.32
CYP2C19 P33261 2/20 0.31
NISCH Q9Y2I1 1/20 0.31
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
CYP2D6 P10635 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL26259534 0.78 KIF11 (0.30) KIF11
SCHEMBL8306245 0.76 IDO1 (0.47) ALDH1A1TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL30708547 0.76 IDO1 (0.47) ALDH1A1TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL1948580 0.73 IDO1 (0.42) CYP1A2CYP2C19
SCHEMBL26259686 0.73
SCHEMBL26259398 0.72 MEN1 (0.33)
SCHEMBL26259557 0.72 IKBKE (0.32)
SCHEMBL1501942 0.72 IDO1 (0.47) ALDH1A1TDP1CYP3A4MAPTHSD17B10
SCHEMBL9258894 0.72 KDM4E (0.50) ALDH1A1TSHRTDP1CYP1A2TP53
SCHEMBL1501919 0.72 IDO1 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-11-14 US disclosed
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 US disclosed
US-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2019-03-21 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-9765068-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 US disclosed
US-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 US disclosed
US-20160368907-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-12-22 US disclosed
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 US disclosed
US-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-07-09 US disclosed
US-8940726-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2015-01-27 US disclosed
US-20140221345-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-08-07 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 (9 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-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 TRPA1 4530/4885ALDH1A1 1890/4885TSHR 4074/4885
US-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 TRPA1 4744/4885ALDH1A1 2460/4885TSHR 3498/4885
US-20140221345-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 TRPA1 4744/4885ALDH1A1 2460/4885TSHR 3498/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 TRPA1 4736/4885ALDH1A1 2705/4885TSHR 3733/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 TRPA1 4530/4885ALDH1A1 1890/4885TSHR 4074/4885
US-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 TRPA1 4744/4885ALDH1A1 2460/4885TSHR 3498/4885
US-20160368907-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 TRPA1 4744/4885ALDH1A1 2460/4885TSHR 3498/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 TRPA1 4530/4885ALDH1A1 1890/4885TSHR 4074/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 TRPA1 4792/4885ALDH1A1 3825/4885TSHR 2396/4885

“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.