SCHEMBL10173095

SCHEMBL10173095

CCOC(=O)Oc1cc2cc([N+](=O)[O-])ccc2n1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.41
ELANE P08246 2/20 0.41
CACNA1F O60840 2/20 0.41
CACNA1D Q01668 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
F2 P00734 1/20 0.39

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
SCHEMBL6608082 0.87 MAPT (0.51) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL6172815 0.84 KMT2A (0.49) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL6175583 0.82 AR (0.47) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL3638010 0.81 CCR2 (0.50) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL10173126 0.80 MAPT (0.41) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2484224 0.80 LMNA (0.52) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL1460082 0.80 L3MBTL1 (0.38) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL11980494 0.78 NOD2 (0.48) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8131642 0.78 MAPT (0.43) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL6173011 0.77 KMT2A (0.41) MAPTKMT2AMEN1ALDH1A1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 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-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885KMT2A 4309/4885MEN1 4685/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885KMT2A 4309/4885MEN1 4685/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885KMT2A 4309/4885MEN1 4685/4885

“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.