SCHEMBL6668052

SCHEMBL6668052

CNC(=O)c1ccc(-c2ccc(C#N)cc2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.51
NSD2 O96028 1/20 0.47
EGLN2 Q96KS0 1/20 0.47
MAPK14 Q16539 3/20 0.45
KDM1A O60341 2/20 0.44
HSD17B1 P14061 1/20 0.43
MAP4K4 O95819 2/20 0.43
MINK1 Q8N4C8 2/20 0.43
TNIK Q9UKE5 2/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
USP30 Q70CQ3 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
SCHEMBL6644495 0.84 SLC22A12 (0.56) NSD2KDM1AHSD17B1MAP4K4ALDH1A1
SCHEMBL6924636 0.83 SLC2A1 (0.51) NSD2EGLN2MAPK14KDM1AHSD17B1
SCHEMBL19230093 0.81 DEGS1 (0.52) EGLN1EGLN2
SCHEMBL6667541 0.81 EGLN1 (0.46) EGLN1EGLN2KDM1AMAP4K4MINK1
SCHEMBL1417979 0.79 HDAC2 (0.57) EGLN2ALDH1A1PKM
SCHEMBL7754817 0.78 MAP4K4 (0.52) EGLN1NSD2HSD17B1MAP4K4
SCHEMBL6668020 0.77 GABRA1 (0.45) NSD2EGLN2KDM1AHSD17B1MAP4K4
SCHEMBL7634772 0.76 ALDH1A1 (0.48) NSD2EGLN2ALDH1A1
SCHEMBL15920701 0.75 S1PR3 (0.58)
SCHEMBL13445155 0.75 HSD17B1 (0.46) NSD2KDM1AHSD17B1MAP4K4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429759-A4 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6803374-B2 INHIBIT THE RNA-DEPENDENT RNA POLYMERASE (RDRP) ENCODED BY HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
EP-1429759-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS Bristol-Myers Squibb Company (US) 2004-06-23 EP disclosed
US-20040067976-A1 Compounds useful for treating Hepatitis C virus PRIESTLEY ELDON SCOTT (US) 2004-04-08 US disclosed
US-20030134853-A1 Compounds useful for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2003-07-17 US disclosed
WO-2003026587-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 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 (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-20040067976-A1 Compounds useful for treating Hepatitis C virus OAT, HAVCR2, GOT1 EGLN1 574/4885NSD2 2909/4885EGLN2 377/4885
US-20030134853-A1 Compounds useful for treating hepatitis C virus OAT, HAVCR2, GOT1 EGLN1 574/4885NSD2 2909/4885EGLN2 377/4885

“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.