SCHEMBL4184528

SCHEMBL4184528

Cn1c(S)nnc1-c1ccc(I)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.43
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 3/20 0.38
MEN1 O00255 2/20 0.35
CYP2C19 P33261 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
DRD2 P14416 1/20 0.33
APP P05067 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
SCHEMBL1544604 0.84 NPC1 (0.51) HSD11B1ALDH1A1NPC1MEN1CYP2C19
SCHEMBL12803376 0.81 ALDH1A1 (0.45) HSD11B1ALDH1A1NPC1MEN1CYP2C19
SCHEMBL392037 0.81 ALDH1A1 (0.44) HSD11B1ALDH1A1NPC1MEN1RAB9A
SCHEMBL1544137 0.81 HSD11B1 (0.56) HSD11B1ALDH1A1KMT2A
SCHEMBL6402595 0.81 ALDH1A1 (0.59) HSD11B1ALDH1A1NPC1MEN1RAB9A
SCHEMBL392717 0.80 HSD11B1 (0.53) HSD11B1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL1543914 0.78 SMN1; SMN2 (0.46) ALDH1A1MEN1CYP2C19KMT2AHPGD
SCHEMBL22728158 0.78 ALDH1A1 (0.47) HSD11B1ALDH1A1NPC1MEN1CYP2C19
SCHEMBL1544151 0.78 ALDH1A1 (0.49) HSD11B1ALDH1A1NPC1RAB9AHPGD
SCHEMBL13994680 0.78 ALDH1A1 (0.39) HSD11B1ALDH1A1NPC1MEN1CYP2C19

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
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 HSD11B1 2966/4885ALDH1A1 4175/4885NPC1 1287/4885

“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.