SCHEMBL5202061

SCHEMBL5202061

CC(C)(C)/N=C/c1ccccc1I

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
APP P05067 1/20 0.41
SIGMAR1 Q99720 2/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX12 P18054 1/20 0.31

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
SCHEMBL5202066 1.00 MEN1 (0.42) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL13656955 1.00 MEN1 (0.42) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL8853786 0.77 ALDH1A1 (0.46) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL8853789 0.77 ALDH1A1 (0.46) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL3324909 0.75 GRIN2D (0.48) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL14011732 0.75 CA12 (0.53) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL18424976 0.75 KMT2A (0.44) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL19840166 0.75 CA12 (0.53) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL2498832 0.75 CA12 (0.53) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL18424973 0.75 KMT2A (0.44) MEN1NPC1MAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
WO-2021126999-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
EP-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 EP disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
WO-2016034673-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
US-8623519-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2014-01-07 US disclosed
US-8623519-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2014-01-07 US disclosed
US-8623519-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2014-01-07 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20070224450-A1 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2007-09-27 US disclosed
US-20070224450-A1 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2007-09-27 US disclosed
US-20070224450-A1 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2007-09-27 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 (2 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A MEN1 1110/4885NPC1 3961/4885MAPT 3674/4885
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 MEN1 324/4885NPC1 2922/4885MAPT 3366/4885

“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.