SCHEMBL16496731

SCHEMBL16496731

CN(C)CCNCc1cccc(-c2ccc(S(=O)(=O)O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 2/20 0.53
▸ HDAC1 Q13547 1/20 0.47
▸ NMT1 P30419 11/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39

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
SCHEMBL3232581 0.81 NMT1 (0.52) NMT1ADAMTS4
SCHEMBL3233263 0.80 HSD17B1 (0.56) NMT1HSD17B1HSD17B2ADAMTS4
SCHEMBL16503084 0.77 NMT1 (0.79) NMT1
SCHEMBL12993252 0.72 CHRM2 (0.65) HDAC1
SCHEMBL3237375 0.72 AOC3 (0.55) NMT1HSD17B1HSD17B2ADAMTS4
SCHEMBL3238340 0.71 ACMSD (0.52) NMT1MAP4K4HSD17B1HSD17B2ADAMTS4
SCHEMBL11983543 0.70 TERT (0.49) VSIRMAP4K4
SCHEMBL13675373 0.70 TERT (0.49) VSIRMAP4K4
SCHEMBL4172088 0.69 HDAC1 (0.44) VSIRHDAC1MAP4K4
SCHEMBL3539853 0.69 KMT2A (0.52) OPRM1OPRK1PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828346-B2 N-myristoyl transferase inhibitors UNIVERSITY OF DUNDEE (GB) 2017-11-28 — — US disclosed
EP-2980076-B1 Pyrazolyl derivatives UNIV DUNDEE (GB) 2017-05-31 — — EP disclosed
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2016-03-03 — — US disclosed
EP-2980076-A1 PYRAZOLYL DERIVATIVES University of Dundee (GB) 2016-02-03 — — EP disclosed
US-9156811-B2 N-myristoyl transferase inhibitors Univeristy of Dundee (GB) 2015-10-13 — — US disclosed
EP-2323987-B1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIV DUNDEE (GB) 2015-06-24 — — EP disclosed
US-20110312921-A1 N-Myristoyl Transferase Inhibitors DUNDEE, UNIVERSITY OF (GB) 2011-12-22 — — 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-20110312921-A1 N-Myristoyl Transferase Inhibitors GNMT, NNMT, SPTLC1 VSIR 3349/4885HDAC1 305/4885NMT1 13/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 VSIR 3349/4885HDAC1 305/4885NMT1 13/4885

“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.

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