SCHEMBL4172846

SCHEMBL4172846

C[C@@H](Oc1nnc(-c2ccc(I)cc2)n1C)c1noc(-c2cccc(Cl)c2)n1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.81
GRM5 P41594 10/20 0.72
MAPT P10636 4/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 6/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 4/20 0.36
MITF O75030 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1543758 0.91 KCNH2 (0.81) KCNH2GRM5MAPTTP53NPC1
SCHEMBL14341519 0.91 KCNH2 (0.81) KCNH2GRM5MAPTTP53NPC1
SCHEMBL1543885 0.90 KCNH2 (1.00) KCNH2GRM5MAPTTP53NPC1
SCHEMBL1544513 0.90 KCNH2 (1.00) KCNH2GRM5MAPTTP53NPC1
SCHEMBL1543911 0.90 KCNH2 (1.00) KCNH2GRM5MAPTTP53NPC1
SCHEMBL1543950 0.87 KCNH2 (0.78) KCNH2GRM5MAPTTP53NPC1
SCHEMBL4179946 0.87 KCNH2 (0.75) KCNH2GRM5MAPTTP53NPC1
SCHEMBL1545804 0.86 KCNH2 (0.83) KCNH2GRM5MAPTTP53NPC1
SCHEMBL4168954 0.86 KCNH2 (0.73) KCNH2GRM5MAPTTP53NPC1
SCHEMBL2958368 0.84 GRM5 (1.00) KCNH2GRM5MAPTTP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
US-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2009054785-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 KCNH2 1573/4885GRM5 1/4885MAPT 770/4885

“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.