SCHEMBL16503018

SCHEMBL16503018

Cc1nn(C)c(C)c1N[S+]([O-])c1ccc(N[C@H](C)c2ccc3ccccc3c2)nc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATP1A1 P05023 1/20 0.35
▸ ATP1B1 P05026 1/20 0.35
▸ ATP1A3 P13637 1/20 0.35
▸ ATP1B2 P14415 1/20 0.35
▸ ATP1A2 P50993 1/20 0.35
▸ ATP1B3 P54709 1/20 0.35
▸ FXYD2 P54710 1/20 0.35
▸ ATP1A4 Q13733 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PLK1 P53350 9/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ IDH1 O75874 6/20 0.34
▸ P2RX3 P56373 2/20 0.32

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
SCHEMBL16503019 0.80 NMT1 (0.41) ALDH1A1NMT1
SCHEMBL18904020 0.75 NMT1 (0.45) ALDH1A1NMT1
SCHEMBL18904119 0.72 NMT1 (0.44) ALDH1A1NMT1
SCHEMBL16502968 0.71 NMT1 (0.42) NMT1
SCHEMBL18903961 0.69 NMT1 (0.52) ALDH1A1HPGDNMT1
SCHEMBL18903984 0.69 NMT1 (0.52) NMT1
SCHEMBL18903967 0.67 NMT1 (0.53) NMT1
SCHEMBL16503007 0.67 NMT1 (0.66) PLK1NMT1
SCHEMBL18903804 0.66 NMT1 (0.68) NMT1
SCHEMBL18904205 0.65 NMT1 (0.45) NMT1

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 8 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
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
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2016-03-03 — — US 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 ATP1A1 4471/4885ATP1B1 4202/4885ATP1A3 4278/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 ATP1A1 4471/4885ATP1B1 4202/4885ATP1A3 4278/4885

“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.

Send feedback