SCHEMBL10173104

SCHEMBL10173104

CCOC(=O)N1C(=O)Cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MITF O75030 1/20 0.44
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL16830137 0.84 ALDH1A1 (0.47) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL5624092 0.83 MAPT (0.58) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL1459895 0.80 PDE5A (0.46) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL9835012 0.80 KMT2A (0.52) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL23055529 0.79 KCNH2 (0.56) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8819820 0.79 LMNA (0.48) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4106672 0.76 GAA (0.53) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL11980498 0.76 NOTUM (0.64) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL27612439 0.75 MAPT (0.47) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4385065 0.74 PPARG (0.48) KMT2AALDH1A1MAPTLMNASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
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 (4 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 KMT2A 4309/4885MEN1 4685/4885GAA 530/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KMT2A 4309/4885MEN1 4685/4885GAA 530/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KMT2A 4309/4885MEN1 4685/4885GAA 530/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KMT2A 4309/4885MEN1 4685/4885GAA 530/4885

“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.