SCHEMBL4180327

SCHEMBL4180327

Cn1c(S)nnc1-c1ccc(Br)cn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
GBA1 P04062 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CA2 P00918 1/20 0.31
HSD17B10 Q99714 1/20 0.30
PDE2A O00408 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17712734 0.78 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL4174964 0.78 ALDH1A1 (0.46) KDM4EHSD17B10ALDH1A1
SCHEMBL4172929 0.75 CA2 (0.36) KDM4ECA2HSD17B10ALDH1A1
SCHEMBL17713134 0.74 NNMT (0.42) KDM4EHSD17B10ALDH1A1
SCHEMBL4877890 0.74 DRD3 (0.34)
SCHEMBL1544336 0.72 NPC1 (0.55) KDM4ECCR1CCR5CCR8HSD17B10
SCHEMBL30396221 0.72 NPC1 (0.55) KDM4ECCR1CCR5CCR8HSD17B10
SCHEMBL1557065 0.71 KMO (0.41) KDM4EGBA1CCR1CCR5CCR8
SCHEMBL30094777 0.71 KMO (0.41) KDM4EGBA1CCR1CCR5CCR8
SCHEMBL18453413 0.71 GSK3B (0.39)

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 6 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
WO-2009054785-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO 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 KDM4E 916/4885GBA1 1565/4885CCR1 2749/4885

“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.