SCHEMBL6795676

SCHEMBL6795676

CNS(=O)(=O)CCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.53
CA2 P00918 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
SIGMAR1 Q99720 2/20 0.48
GLO1 Q04760 1/20 0.48
IDO1 P14902 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL8587598 0.93 MEN1 (0.56) MEN1KMT2APOLBCA2L3MBTL1
SCHEMBL6793104 0.88 IDO1 (0.59) MEN1KMT2APOLBCA2L3MBTL1
SCHEMBL6491355 0.84 CA2 (0.55) MEN1KMT2APOLBCA2SIGMAR1
SCHEMBL8907300 0.81 MEN1 (0.60) MEN1KMT2APOLBCA2L3MBTL1
SCHEMBL10895642 0.81 CA2 (0.56) MEN1KMT2APOLBCA2SIGMAR1
SCHEMBL19798386 0.80 MEN1 (0.50) MEN1KMT2APOLBCA2L3MBTL1
SCHEMBL12890231 0.80 KMT2A (0.50) MEN1KMT2APOLBCA2SIGMAR1
SCHEMBL9597342 0.78 GLO1 (0.49) MEN1KMT2APOLBCA2SIGMAR1
SCHEMBL9570449 0.78 CA2 (0.49) MEN1KMT2APOLBCA2L3MBTL1
SCHEMBL12821019 0.78 POLB (0.58) MEN1KMT2APOLBCA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 US disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 WO disclosed
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed
US-5587393-A ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION DR. KARL THOMAE GMBH (DE) 1996-12-24 US disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 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 (3 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 MEN1 2152/4885KMT2A 278/4885POLB 4819/4885
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 MEN1 2426/4885KMT2A 2457/4885POLB 1470/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 MEN1 4518/4885KMT2A 1254/4885POLB 20/4885

“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.