SCHEMBL14491782

SCHEMBL14491782

CC(C)(C)c1nc2cc(Br)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SCN10A Q9Y5Y9 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ FGFR1 P11362 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ NOS1 P29475 1/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 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
SCHEMBL1509452 0.82 NOS1 (0.38) ALDH1A1LMNARAB9ANOS1METAP2
SCHEMBL1284461 0.82 NPSR1 (0.58) ALDH1A1SMN1; SMN2L3MBTL1LMNARAB9A
SCHEMBL23619188 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL10005347 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL846855 0.80 SCN10A (0.58) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL4527867 0.79 NPSR1 (0.42) ALDH1A1SMN1; SMN2NOS1METAP2CSNK2A1
SCHEMBL7028984 0.79 KDM4E (0.50) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL2732982 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL10248397 0.79 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL13264167 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 — — US disclosed
US-20180098987-A1 PRMT5 Inhibitors and Uses Thereof Epizyme, Inc. (US) 2018-04-12 — — US disclosed
EP-3080099-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-11 — — EP disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 — — 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-9675614-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-06-13 — — US disclosed
US-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — US disclosed
US-20170027935-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-02-02 — — US disclosed
US-9365519-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2016-06-14 — — US disclosed
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-17 — — US disclosed
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 — — US disclosed
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 — — US disclosed
US-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-09-10 — — US disclosed
US-8993555-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2015-03-31 — — US disclosed
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-11-06 — — US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — 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 (11 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-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ALDH1A1 2460/4885SMN1; SMN2 952/4885L3MBTL1 982/4885
US-20180098987-A1 PRMT5 Inhibitors and Uses Thereof PRMT5, PRMT1, PRMT6 ALDH1A1 2460/4885SMN1; SMN2 952/4885L3MBTL1 982/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885SMN1; SMN2 4707/4885L3MBTL1 2178/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 ALDH1A1 2705/4885SMN1; SMN2 1466/4885L3MBTL1 1042/4885
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ALDH1A1 2460/4885SMN1; SMN2 952/4885L3MBTL1 982/4885
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ALDH1A1 2426/4885SMN1; SMN2 1018/4885L3MBTL1 942/4885
US-20170027935-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ALDH1A1 2460/4885SMN1; SMN2 952/4885L3MBTL1 982/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 ALDH1A1 1890/4885SMN1; SMN2 1715/4885L3MBTL1 1306/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ALDH1A1 3825/4885SMN1; SMN2 1442/4885L3MBTL1 802/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 ALDH1A1 2705/4885SMN1; SMN2 1466/4885L3MBTL1 1042/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 ALDH1A1 2021/4885SMN1; SMN2 1613/4885L3MBTL1 1170/4885

“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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