SCHEMBL629505

SCHEMBL629505

CCOC(=O)/C=C(/NC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 4/20 0.43
MDM2 Q00987 2/20 0.43
MDM4 O15151 1/20 0.43
PTGS2 P35354 1/20 0.42
MAPK1 P28482 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL629506 1.00 MAPT (0.48) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL1273130 1.00 MAPT (0.48) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL9298448 0.84 GAA (0.51) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL13662396 0.84 MAPT (0.46) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL2549625 0.84 GAA (0.51) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL3858960 0.84 GAA (0.51) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL636993 0.84 MAPT (0.46) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL6838857 0.84 KMT2A (0.42) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13477 0.84 MAPT (0.45) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL6822490 0.84 KMT2A (0.42) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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-2268285-B1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2083844-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-11-27 EP disclosed
US-8591878-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-8377874-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
US-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 US disclosed
EP-2041159-B8 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2012-02-22 EP disclosed
EP-2041159-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2011-09-28 EP disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20100286185-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 US disclosed
EP-2083844-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
EP-2041159-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-04-01 EP disclosed
WO-2008057208-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
WO-2007148135-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-27 WO 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-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 MAPT 4169/4885MEN1 3427/4885KMT2A 2619/4885
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 MAPT 4195/4885MEN1 1245/4885KMT2A 3031/4885
US-20100286185-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC MAPT 4330/4885MEN1 4761/4885KMT2A 3629/4885

“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.