SCHEMBL6320583

SCHEMBL6320583

COc1ccc(C#Cc2cccc(F)c2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
GRM5 P41594 7/20 0.44
ALDH1A1 P00352 1/20 0.44
PTGS1 P23219 1/20 0.43
NFE2L2 Q16236 1/20 0.43
GRM4 Q14833 1/20 0.41
SLC6A2 P23975 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL28751450 0.83 KCNH2 (0.51) RAB9ASMN1; SMN2GRM5ALDH1A1GRM4
SCHEMBL6313746 0.83 CA12 (0.47) RAB9ACA12CA1CA2CA9
SCHEMBL6314495 0.78 KCNH2 (0.53) CA12CA1CA2CA9GRM5
SCHEMBL2249460 0.77 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1NFE2L2
SCHEMBL31286312 0.76 CA12 (0.62) CA12CA1CA2CA9GRM5
SCHEMBL9302636 0.76 CA12 (0.62) CA12CA1CA2CA9GRM5
SCHEMBL8865572 0.75 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4713235 0.73 GRM5 (0.68) GRM5SLC6A2
SCHEMBL6787407 0.73 GRM5 (0.63) NPC1RAB9ASMN1; SMN2GRM5ALDH1A1
SCHEMBL9304700 0.73 CA12 (0.62) CA12CA1CA2CA9GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1608065-A Phenyl substituted triazoles and their use as selective inhibors of akl5 kinase and pharmaceutical compositions containing the compounds SMITHKLINE BEECHAM CORP (US) 2005-04-20 CN disclosed
US-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase GASTER LARAMIE MARY (GB) 2005-01-20 US disclosed
EP-1444232-A1 PHENYL SUBSTITUTED TRIAZOLES AND THEIR USE AS SELECTIVE INHIBORS OF AKL5 KINASE SMITHKLINE BEECHAM CORPORATION (US) 2004-08-11 EP disclosed
WO-2003042211-A1 PHENYL SUBSTITUTED TRIAZOLES AND THEIR USE AS SELECTIVE INHIBORS OF AKL5 KINASE SMITHKLINE BEECHAM CORPORATION (US) 2003-05-22 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 (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-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase AKR1C3, CBR3, PHKG1 NPC1 1967/4885RAB9A 3422/4885SMN1; SMN2 4792/4885

“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.