SCHEMBL5429182

SCHEMBL5429182

Brc1ccc(SC2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.55
MAOB P27338 5/20 0.55
PTGIR P43119 1/20 0.41
VCP P55072 4/20 0.38
AR P10275 1/20 0.37
CYP2A6 P11509 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CRBN Q96SW2 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL30892876 0.98 MAOA (0.58) MAOAMAOBPTGIRVCPAR
SCHEMBL13609520 0.95 MAOA (0.50) MAOAMAOBPTGIRVCPAR
SCHEMBL1745003 0.91 MAOB (0.44) MAOAMAOBPTGIRCYP2A6MAPK1
SCHEMBL23295277 0.88 MAOA (0.65) MAOAMAOBPTGIRARMAPK1
SCHEMBL5215573 0.81 MAOA (0.42) MAOAMAOBPTGIRCYP2A6KMT2A
SCHEMBL1939589 0.81 MAOA (0.44) MAOAMAOBCYP2A6HTTRAB9A
SCHEMBL30939414 0.81 MAOB (0.44) MAOAMAOBCYP2A6MAPK1SMN1; SMN2
SCHEMBL14081453 0.78 CARM1 (0.43) MAOAMAOBRAB9ANPC1SMN1; SMN2
SCHEMBL25866081 0.78 CARM1 (0.36) MAOAMAOBVCPRAB9AKMT2A
SCHEMBL8361627 0.77 MAOA (0.55) MAOAMAOBPTGIRARRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 US disclosed
US-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 US disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 US disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 US disclosed
US-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 US disclosed
EP-1675821-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005044787-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-05-19 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-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 MAOA 136/4885MAOB 217/4885PTGIR 22/4885
US-20070213349-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 MAOA 1697/4885MAOB 1713/4885PTGIR 2968/4885

“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.