SCHEMBL17044952

SCHEMBL17044952

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
SLC2A1 P11166 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL16188354 0.92 ALDH1A1 (0.42) CYP2C9MAPK1NPSR1ALDH1A1HCRTR1
SCHEMBL16309223 0.86 HCRTR1 (0.49) MEN1KMT2ACYP2C9MAPK1CYP1A2
SCHEMBL17044953 0.86 HCRTR1 (0.49) MEN1KMT2ACYP2C9MAPK1CYP1A2
SCHEMBL16309221 0.83 KCNH2 (0.56) MEN1KMT2ACYP2C9MAPK1CYP1A2
SCHEMBL17045001 0.83 KMT2A (0.49) MEN1KMT2ACYP2C9MAPK1CYP1A2
SCHEMBL22344943 0.82 KCNH2 (0.59) MEN1KMT2ACYP2C9MAPK1CYP1A2
SCHEMBL474884 0.82 KCNH2 (0.49) MEN1KMT2ACYP2C9MAPK1CYP1A2
SCHEMBL20952525 0.82 KCNH2 (0.59) MEN1KMT2ACYP2C9MAPK1CYP1A2
SCHEMBL22344937 0.82 KCNH2 (0.49) MEN1KMT2ACYP2C9MAPK1CYP1A2
SCHEMBL16188296 0.82 KCNH2 (0.59) MEN1KMT2ACYP2C9MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 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-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MEN1 4685/4885KMT2A 4309/4885CYP2C9 2551/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MEN1 4685/4885KMT2A 4309/4885CYP2C9 2551/4885

“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.