SCHEMBL474772

SCHEMBL474772

CC(=O)Nc1ccc(-c2cc3cc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](c4ccccc4)N(C)C)ccc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C9 P11712 7/20 0.44
CYP2C19 P33261 6/20 0.44
CYP3A4 P08684 5/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 2/20 0.44
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
GAA P10253 1/20 0.41
MMP13 P45452 1/20 0.40

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
SCHEMBL27966125 1.00 KCNH2 (0.49) KCNH2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL30065583 1.00 KCNH2 (0.49) KCNH2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL894497 0.94 KCNH2 (0.49) KCNH2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL474732 0.93 KCNH2 (0.48) KCNH2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL28947735 0.93 KCNH2 (0.48) KCNH2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL894730 0.92 KCNH2 (0.49) KCNH2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL16291016 0.91 KCNH2 (0.56) KCNH2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL20952269 0.91 KCNH2 (0.46) KCNH2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL20952287 0.91 KCNH2 (0.56) KCNH2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL895411 0.91 KCNH2 (0.46) KCNH2CYP2C9CYP2C19CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103880862-A Inhibitors Of Hepatitis C Virus Replication MERCK SHARP & DOHME 2014-06-25 CN claimed
EP-2410844-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION Merck Sharp & Dohme Corp. (US) 2012-02-01 EP claimed
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO claimed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 KCNH2 4621/4885MEN1 4685/4885KMT2A 4309/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885MEN1 4685/4885KMT2A 4309/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885MEN1 4685/4885KMT2A 4309/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885MEN1 4685/4885KMT2A 4309/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885MEN1 4685/4885KMT2A 4309/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885MEN1 4685/4885KMT2A 4309/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885MEN1 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.