SCHEMBL16503019

SCHEMBL16503019

Cc1nn(C)c(C)c1N[S+]([O-])c1ccc(NCCc2ccc3ccccc3c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 9/20 0.41
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ GSK3A P49840 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ RIOK2 Q9BVS4 1/20 0.30

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
SCHEMBL18904119 0.80 NMT1 (0.44) NMT1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL16503027 0.78 CNR2 (0.41) NMT1LMNAHTTSMN1; SMN2NPC1
SCHEMBL18903961 0.78 NMT1 (0.52) NMT1LMNAHTTSMN1; SMN2NPC1
SCHEMBL16502968 0.78 NMT1 (0.42) NMT1LMNAHTTSMN1; SMN2HRH3
SCHEMBL18904020 0.77 NMT1 (0.45) NMT1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL18903804 0.76 NMT1 (0.68) NMT1LMNA
SCHEMBL18903949 0.76 HTT (0.38) NMT1LMNAHTTSMN1; SMN2NPC1
SCHEMBL18903984 0.75 NMT1 (0.52) NMT1
SCHEMBL18903967 0.74 NMT1 (0.53) NMT1LMNA
SCHEMBL18904009 0.72 NMT1 (0.46) NMT1LMNAHTTSMN1; SMN2

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 11 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
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
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
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 NMT1 13/4885LMNA 4097/4885HTT 1540/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 NMT1 13/4885LMNA 4097/4885HTT 1540/4885

“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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