SCHEMBL2644959

SCHEMBL2644959

Cn1nnc(-c2ccc(O)cn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PDE10A Q9Y233 2/20 0.37
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
EPHX2 P34913 1/20 0.35
PPARA Q07869 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
PDK2 Q15119 1/20 0.33
TP53 P04637 2/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
RECQL P46063 1/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL46305 0.81 CCR1 (0.52) MAOAMAOBPDE10ARAB9ASMN1; SMN2
SCHEMBL8117268 0.81 MAOA (0.44) MAOAMAOBPDE10ARAB9ASMN1; SMN2
SCHEMBL23576574 0.79 EPHX2 (0.41) MAOAMAOBPDE10ARAB9ASMN1; SMN2
SCHEMBL29407430 0.79 MAOA (0.36) MAOAMAOBPDE10ARAB9ASMN1; SMN2
SCHEMBL2644955 0.79 MAOA (0.39) MAOAMAOBPDE10ARAB9ASMN1; SMN2
SCHEMBL1557876 0.79 MAOA (0.36) MAOAMAOBPDE10ARAB9ASMN1; SMN2
SCHEMBL18843970 0.79 MAOA (0.56) MAOAMAOBPDE10ARAB9ASMN1; SMN2
SCHEMBL2559702 0.79 MAOA (0.37) MAOAMAOBPDE10ARAB9ASMN1; SMN2
SCHEMBL13771819 0.77 NPC1 (0.44) MAOAMAOBPDE10ARAB9ASMN1; SMN2
SCHEMBL19245816 0.77 LMNA (0.38) MAOAMAOBPDE10ARAB9ASMN1; SMN2

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
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP claimed
CN-109251166-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2021-11-05 CN disclosed
CN-109251166-A The aminated compounds for inhibiting SSAO/VAP-1 and its application in medicine 广东东阳光药业有限公司 2019-01-22 CN disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
CN-1926127-A Novel 2-heteroaryl substituted benzimidazole derivatives BANYU PHARMA CO LTD (JP) 2007-03-07 CN disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 MAOA 2337/4885MAOB 1936/4885PDE10A 3980/4885

“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.