SCHEMBL16509593

SCHEMBL16509593

COc1ccc(NCc2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ NMT1 P30419 8/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ PKM P14618 1/20 0.47

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
SCHEMBL16509534 0.88 NMT1 (0.60) LMNAHTTSMN1; SMN2NMT1L3MBTL1
SCHEMBL13457978 0.87 LMNA (0.66) LMNAHTTSMN1; SMN2NMT1L3MBTL1
SCHEMBL16503024 0.86 NMT1 (0.69) LMNAHTTSMN1; SMN2NMT1L3MBTL1
SCHEMBL16503023 0.84 SMN1; SMN2 (0.61) LMNAHTTSMN1; SMN2NMT1L3MBTL1
SCHEMBL18903978 0.84 LMNA (0.64) LMNAHTTSMN1; SMN2NMT1L3MBTL1
SCHEMBL16509585 0.84 LMNA (0.58) LMNAHTTSMN1; SMN2NMT1L3MBTL1
SCHEMBL16502976 0.81 LMNA (0.63) LMNAHTTSMN1; SMN2CA1NMT1
SCHEMBL16509599 0.80 GAA (0.57) LMNAHTTSMN1; SMN2NMT1L3MBTL1
SCHEMBL16509596 0.79 NMT1 (0.57) LMNAHTTSMN1; SMN2NMT1L3MBTL1
SCHEMBL17552960 0.79 NMT1 (0.60) LMNAHTTSMN1; SMN2NMT1L3MBTL1

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
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
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 LMNA 4097/4885HTT 1540/4885SMN1; SMN2 3634/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 LMNA 4097/4885HTT 1540/4885SMN1; SMN2 3634/4885

“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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