SCHEMBL10222766

SCHEMBL10222766

O=C(Nc1ccc(-c2nc3cc(NC(=O)[C@@H]4CCCN4)ccc3o2)cc1)[C@@H]1CCCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.58
▸ KDM4E B2RXH2 8/20 0.58
▸ HPGD P15428 8/20 0.58
▸ NPC1 O15118 8/20 0.58
▸ SMN1; SMN2 Q16637 7/20 0.58
▸ RAB9A P51151 7/20 0.58
▸ MAPT P10636 7/20 0.56
▸ HSD17B10 Q99714 4/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ TP53 P04637 2/20 0.52
▸ POLB P06746 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ STAT3 P40763 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ SCN3A Q9NY46 2/20 0.50
▸ HPSE Q9Y251 1/20 0.50

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
SCHEMBL2245336 0.94 MAPT (0.60) ALDH1A1KDM4EHPGDNPC1SMN1; SMN2
SCHEMBL2245331 0.94 MAPT (0.60) ALDH1A1KDM4EHPGDNPC1SMN1; SMN2
SCHEMBL10223745 0.83 SCN9A (0.53) ALDH1A1KDM4EHPGDNPC1SMN1; SMN2
SCHEMBL14664044 0.81 SCN3A (0.58) ALDH1A1KDM4EHPGDNPC1SMN1; SMN2
SCHEMBL10223615 0.81 SCN3A (0.50) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL13388756 0.78 SCN3A (0.64) RAB9ASCN3ASCN9A
SCHEMBL12489110 0.77 SCN3A (0.59) ALDH1A1KDM4EHPGDNPC1SMN1; SMN2
SCHEMBL14828738 0.77 SCN3A (0.59) ALDH1A1KDM4EHPGDNPC1SMN1; SMN2
SCHEMBL2245386 0.77 MAPT (0.65) ALDH1A1KDM4EHPGDNPC1SMN1; SMN2
SCHEMBL2248739 0.77 MAPT (0.65) ALDH1A1KDM4EHPGDNPC1SMN1; 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-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-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-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-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 ALDH1A1 2400/4885KDM4E 3780/4885HPGD 1852/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ALDH1A1 2400/4885KDM4E 3780/4885HPGD 1852/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ALDH1A1 2400/4885KDM4E 3780/4885HPGD 1852/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ALDH1A1 2400/4885KDM4E 3780/4885HPGD 1852/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ALDH1A1 2400/4885KDM4E 3780/4885HPGD 1852/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 ALDH1A1 2400/4885KDM4E 3780/4885HPGD 1852/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ALDH1A1 2400/4885KDM4E 3780/4885HPGD 1852/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ALDH1A1 2400/4885KDM4E 3780/4885HPGD 1852/4885

“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.

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