SCHEMBL5652344

SCHEMBL5652344

CNS(=O)(=O)c1ccc(CCBr)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
GSTO1 P78417 2/20 0.40
KMT2A Q03164 1/20 0.37
PTGES2 Q9H7Z7 2/20 0.37
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
LMNA P02545 1/20 0.36
VCAM1 P19320 1/20 0.35
APP P05067 3/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL5650519 0.83 LMNA (0.44) CA1CA2KMT2ALMNAALDH1A1
SCHEMBL27624382 0.82 ADRA1D (0.42) NMT1CA1CA2CA7CA9
SCHEMBL5650166 0.81 ALDH1A1 (0.36) NMT1LMNAALDH1A1
SCHEMBL27704411 0.80 TRPV4 (0.46) NMT1CA1CA2CA7CA9
SCHEMBL5647150 0.79 L3MBTL1 (0.48) CA1CA2CA9CA14CA12
SCHEMBL2371055 0.74 CA12 (0.53) CA1CA2CA7CA9CA14
SCHEMBL11609945 0.73 GAA (0.48) CA1CA2CA7CA9CA14
SCHEMBL5648958 0.73 SMN1; SMN2 (0.53) CA1CA2CA7CA9CA14
SCHEMBL28945097 0.72 GSTO1 (0.44) GSTO1KMT2APTGES2LMNASIGMAR1
SCHEMBL30019331 0.69 PNMT (0.61) KMT2ASIGMAR1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
CN-1863793-A Cyclic tertiary amine compound SANKYO CO (JP) 2006-11-15 CN disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP 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 (1 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 NMT1 3254/4885CA1 2446/4885CA2 2422/4885

“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.