SCHEMBL10173063

SCHEMBL10173063

CC(=O)Nc1cccc(-c2cc3ccc([N+](=O)[O-])cc3[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
POLB P06746 4/20 0.54
NPC1 O15118 1/20 0.54
FBP1 P09467 3/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
CYP19A1 P11511 1/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ABCB1 P08183 1/20 0.46
MAP2K7 O14733 1/20 0.46
HTT P42858 2/20 0.45
DDX3X O00571 1/20 0.45
MAPT P10636 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL10173059 0.87 KMT2A (0.53) SMN1; SMN2MEN1KMT2ANPC1CYP19A1
SCHEMBL10173085 0.81 ALDH1A1 (0.55) SMN1; SMN2MEN1KMT2APOLBNPC1
SCHEMBL2973961 0.80 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2APOLBNPC1
SCHEMBL10223078 0.78 KDM4E (0.57) SMN1; SMN2MEN1KMT2APOLBNPC1
SCHEMBL2244487 0.77 CYP19A1 (0.78) SMN1; SMN2MEN1KMT2APOLBNPC1
SCHEMBL30546488 0.76 CASP3 (0.58) SMN1; SMN2MEN1KMT2APOLBNPC1
SCHEMBL6370532 0.76 MAP2K7 (0.76) SMN1; SMN2MEN1KMT2AABCG2HPGD
SCHEMBL1248559 0.76 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2APOLBNPC1
SCHEMBL13191464 0.73 HRH4 (0.43) SMN1; SMN2MEN1KMT2APOLBNPC1
SCHEMBL8243390 0.71 NPC1 (1.00) SMN1; SMN2MEN1KMT2APOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
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
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 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 (8 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SMN1; SMN2 4833/4885MEN1 4685/4885KMT2A 4309/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SMN1; SMN2 4833/4885MEN1 4685/4885KMT2A 4309/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SMN1; SMN2 4833/4885MEN1 4685/4885KMT2A 4309/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SMN1; SMN2 4833/4885MEN1 4685/4885KMT2A 4309/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SMN1; SMN2 4833/4885MEN1 4685/4885KMT2A 4309/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 SMN1; SMN2 4833/4885MEN1 4685/4885KMT2A 4309/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SMN1; SMN2 4833/4885MEN1 4685/4885KMT2A 4309/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SMN1; SMN2 4833/4885MEN1 4685/4885KMT2A 4309/4885

“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.