SCHEMBL16502968

SCHEMBL16502968

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 9/20 0.42
▸ CYP2C19 P33261 1/20 0.38
▸ TDO2 P48775 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ BPTF Q12830 1/20 0.33
▸ KAT2B Q92831 2/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL18904119 0.87 NMT1 (0.44) NMT1TDO2MKNK1LMNAHTT
SCHEMBL18903961 0.80 NMT1 (0.52) NMT1LMNAHTTSMN1; SMN2
SCHEMBL18904020 0.79 NMT1 (0.45) NMT1LMNAHTTSMN1; SMN2
SCHEMBL18904094 0.79 NMT1 (0.35) NMT1
SCHEMBL16503019 0.78 NMT1 (0.41) NMT1HRH3LMNAHTTSMN1; SMN2
SCHEMBL18903984 0.78 NMT1 (0.52) NMT1HTR1AHTR7
SCHEMBL18903967 0.76 NMT1 (0.53) NMT1HTR1AHTR7LMNA
SCHEMBL18904009 0.74 NMT1 (0.46) NMT1LMNAHTTSMN1; SMN2
SCHEMBL18903804 0.73 NMT1 (0.68) NMT1LMNA
SCHEMBL18903819 0.72 NMT1 (0.37) 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 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 13/4885CYP2C19 3800/4885TDO2 2062/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 NMT1 13/4885CYP2C19 3800/4885TDO2 2062/4885

“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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