SCHEMBL3237332

SCHEMBL3237332

CCCOc1cc(CN2CCN(C)CC2)cc(-c2ccc(S(=O)(=O)O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NMT1 P30419 3/20 0.41
▸ FAAH O00519 2/20 0.41
▸ CHKA P35790 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL3264662 0.83 ALDH1A1 (0.45) NMT1FAAHCHKAALDH1A1
SCHEMBL1852248 0.81 NMT1 (0.69) NMT1
SCHEMBL3236665 0.77 NMT1 (0.63) NMT1FAAHCHKA
SCHEMBL16497112 0.73 ERN1 (0.44) HPGDALDH1A1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL10911900 0.71 DRD2 (0.62) NPC1RAB9ATP53HPGDFAAH
SCHEMBL16376096 0.69 CA12 (0.68) MEN1KMT2A
SCHEMBL3237444 0.69 NMT1 (0.64) NMT1HRH3MEN1KMT2A
SCHEMBL18182312 0.66 RAB9A (0.91) NPC1RAB9ATP53HPGDALDH1A1
SCHEMBL7656308 0.66 HRH3 (0.69) HRH3
SCHEMBL3231278 0.65 HTR7 (0.49) HRH3

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
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
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
WO-2010026365-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2010-03-11 — — WO 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 NPC1 234/4885RAB9A 1075/4885TP53 3470/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 NPC1 234/4885RAB9A 1075/4885TP53 3470/4885

“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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