SCHEMBL16502943

SCHEMBL16502943

COc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.59
▸ NMT1 P30419 5/20 0.57
▸ LMNA P02545 3/20 0.55
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ EDNRB P24530 1/20 0.49
▸ EDNRA P25101 1/20 0.49
▸ PKM P14618 1/20 0.49

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
SCHEMBL16509495 0.90 FFAR4 (0.60) KMT2ANMT1LMNAHTTSMN1; SMN2
SCHEMBL16502945 0.81 LMNA (0.60) NMT1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL16502982 0.81 KMT2A (0.58) KMT2ANMT1LMNAHTTSMN1; SMN2
SCHEMBL13457978 0.80 LMNA (0.66) NMT1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL16502939 0.80 NMT1 (0.65) KMT2ANMT1SMN1; SMN2L3MBTL1EDNRB
SCHEMBL16502974 0.79 L3MBTL1 (0.57) KMT2ANMT1LMNAHTTSMN1; SMN2
SCHEMBL16817058 0.78 LMNA (0.71) KMT2ANMT1LMNAHTTSMN1; SMN2
SCHEMBL16502937 0.77 KMT2A (0.57) KMT2ANMT1LMNASMN1; SMN2L3MBTL1
SCHEMBL16503036 0.76 LMNA (0.61) NMT1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL16502962 0.76 NMT1 (0.65) NMT1LMNAHTTSMN1; SMN2L3MBTL1

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 10 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
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 KMT2A 1145/4885NMT1 13/4885LMNA 4097/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 KMT2A 1145/4885NMT1 13/4885LMNA 4097/4885

“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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