SCHEMBL894772

SCHEMBL894772

CC(=O)Nc1ccc(-c2cc3cc(-c4nnc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C(=O)O)C(C)C)o4)ccc3[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
HCRTR1 O43613 6/20 0.37
HCRTR2 O43614 6/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
MMP13 P45452 1/20 0.36
EGFR P00533 1/20 0.35
SLC2A1 P11166 1/20 0.35
PRCP P42785 2/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
USP30 Q70CQ3 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL474879 0.91 KCNH2 (0.47) KCNH2F7F3HCRTR1HCRTR2
SCHEMBL30065501 0.91 KCNH2 (0.47) KCNH2F7F3HCRTR1HCRTR2
SCHEMBL20952286 0.91 KCNH2 (0.47) KCNH2F7F3HCRTR1HCRTR2
SCHEMBL16188339 0.88 KCNH2 (0.41) KCNH2F7F3HCRTR1HCRTR2
SCHEMBL20952517 0.87 KCNH2 (0.43) KCNH2F7F3HCRTR1HCRTR2
SCHEMBL10173660 0.87 KCNH2 (0.43) KCNH2F7F3HCRTR1HCRTR2
SCHEMBL894730 0.84 KCNH2 (0.49) KCNH2HCRTR1HCRTR2MAPTMMP13
SCHEMBL17045004 0.83 CPT1A (0.42) HCRTR1HCRTR2MAPTTP53MMP13
SCHEMBL17045003 0.82 HCRTR1 (0.40) HCRTR1HCRTR2MAPTTP53MMP13
SCHEMBL24731079 0.80 KCNH2 (0.46) KCNH2HCRTR1HCRTR2MAPTSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US claimed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 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 (2 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 KCNH2 4621/4885F7 3242/4885F3 843/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885F7 3242/4885F3 843/4885

“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.