SCHEMBL4101807

SCHEMBL4101807

Clc1cccc(-c2cc([C@@H]3NC[C@H]4C[C@H]43)no2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
TP53 P04637 3/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 5/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
HTR7 P34969 1/20 0.36
POLB P06746 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
SCHEMBL4101794 0.74 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL4274720 0.74 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL4536741 0.74 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL5483346 0.72 RAB9A (0.48) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL5480899 0.72 NPC1 (0.46) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL2896704 0.72 RAB9A (0.50) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL2899002 0.72 RAB9A (0.50) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL4101846 0.71 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL4097252 0.69 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL4095448 0.68 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ATP53THRB

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.