SCHEMBL4101794

SCHEMBL4101794

Clc1cccc(-c2cc([C@H]3C[C@H]4C[C@H]4N3)no2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
TP53 P04637 3/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
HTR7 P34969 1/20 0.37
POLB P06746 1/20 0.37
NOTUM Q6P988 1/20 0.36

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
SCHEMBL4274720 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL4099822 0.85 NISCH (0.37) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL5483346 0.76 RAB9A (0.48) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL2899002 0.75 RAB9A (0.50) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL2896704 0.75 RAB9A (0.50) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL5480899 0.75 NPC1 (0.46) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL4101807 0.74 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL4536741 0.70 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL4101819 0.68 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL17084388 0.68 NPC1 (0.73) SMN1; SMN2NPC1RAB9ATP53MAPT

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-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
US-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US 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-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 SMN1; SMN2 2221/4885NPC1 2412/4885RAB9A 1196/4885

“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.