SCHEMBL14214964

SCHEMBL14214964

CCNC(=O)NC(C)(C)CC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.49
POLB P06746 3/20 0.43
KDM4C Q9H3R0 1/20 0.38
HTT P42858 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 3/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
PARP1 P09874 1/20 0.31
DUT P33316 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL20784863 0.84 EPHX1 (0.39) EPHX1POLBKDM4CSMN1; SMN2ALDH1A1
SCHEMBL6566836 0.84 EPHX1 (0.57) EPHX1POLBKDM4CHTTSMN1; SMN2
SCHEMBL10071176 0.82 EPHX1 (0.60) EPHX1KDM4CSMN1; SMN2KMT2AALDH1A1
SCHEMBL21648769 0.81 EPHX1 (0.47) EPHX1POLBKDM4CHTTSMN1; SMN2
SCHEMBL618600 0.80 EPHX1 (0.44) EPHX1POLBKDM4CSMN1; SMN2KMT2A
SCHEMBL14031260 0.77 EPHX1 (0.52) EPHX1POLBHTTSMN1; SMN2KMT2A
SCHEMBL7823787 0.77 EPHX1 (0.52) EPHX1POLBHTTSMN1; SMN2KMT2A
SCHEMBL1908722 0.77 EPHX1 (0.42) EPHX1KDM4CSMN1; SMN2KMT2AALDH1A1
SCHEMBL6262428 0.77 EPHX1 (0.42) EPHX1KDM4CSMN1; SMN2KMT2AALDH1A1
SCHEMBL16173925 0.77 EPHX1 (0.47) EPHX1POLBHTTSMN1; SMN2KMT2A

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-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 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 (1 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-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP EPHX1 2738/4885POLB 2106/4885KDM4C 2110/4885

“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.