SCHEMBL16503027

SCHEMBL16503027

Cc1nn(C)c(C)c1N[S+]([O-])c1ccc(COCc2ccc3ccccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.41
▸ CNR1 P21554 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GALR3 O60755 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ PIN1 Q13526 2/20 0.35
▸ TACR1 P25103 2/20 0.34
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ CASR P41180 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ NMT1 P30419 1/20 0.32

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
SCHEMBL18903949 0.85 HTT (0.38) CNR2CNR1SMN1; SMN2LMNAHTT
SCHEMBL18904208 0.77 NMT1 (0.39) SMN1; SMN2LMNAHTTNMT1
SCHEMBL18904027 0.76 MAPT (0.50) SMN1; SMN2NPC1RAB9ANMT1
SCHEMBL18904188 0.75 KMT2A (0.46) SMN1; SMN2LMNAHTTNMT1
SCHEMBL18903979 0.73 SMN1; SMN2 (0.37) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL18903943 0.70 HRH3 (0.43) SMN1; SMN2LMNAHTTNMT1
SCHEMBL18904219 0.70 NMT1 (0.55) NMT1
SCHEMBL16509603 0.69 HTT (0.57) SMN1; SMN2LMNAHTTNMT1
SCHEMBL18904190 0.69 TSHR (0.37) SMN1; SMN2LMNAHTTNMT1
SCHEMBL18903996 0.69 NMT1 (0.51) 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 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
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
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 CNR2 2079/4885CNR1 2073/4885SMN1; SMN2 3634/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 CNR2 2079/4885CNR1 2073/4885SMN1; 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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