SCHEMBL5480899

SCHEMBL5480899

Clc1cccc(-c2cc(C3COCCN3)no2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTR7 P34969 1/20 0.40
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL5483346 0.84 RAB9A (0.48) NPC1RAB9ASMN1; SMN2TP53THRB
SCHEMBL2896704 0.82 RAB9A (0.50) NPC1RAB9ASMN1; SMN2TP53THRB
SCHEMBL2899002 0.82 RAB9A (0.50) NPC1RAB9ASMN1; SMN2TP53THRB
SCHEMBL5483238 0.78 MAOA (0.47) NPC1RAB9ASMN1; SMN2TP53HTR7
SCHEMBL7353494 0.77 PRKACA (0.52) ALDH1A1PRKACAPRKACGPRKACBMAPT
SCHEMBL21723230 0.77 PRKACA (0.52) ALDH1A1PRKACAPRKACGPRKACBMAPT
SCHEMBL5485289 0.77 GRM5 (0.51)
SCHEMBL4101794 0.75 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2TP53THRB
SCHEMBL4274720 0.75 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2TP53THRB
SCHEMBL4101807 0.72 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2TP53THRB

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-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US disclosed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 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 (2 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-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 NPC1 2424/4885RAB9A 3419/4885SMN1; SMN2 3066/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 NPC1 2449/4885RAB9A 3443/4885SMN1; SMN2 3354/4885

“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.