SCHEMBL2894573

SCHEMBL2894573

CN=C(SC)N1CCCCC1c1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
USP30 Q70CQ3 1/20 0.45
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
GRM5 P41594 6/20 0.44
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5475126 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AUSP30TP53
SCHEMBL2894572 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AUSP30TP53
SCHEMBL2894570 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AUSP30TP53
Iodomethane SCHEMBL5801516 0.98 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AUSP30TP53
Iodomethane SCHEMBL5801518 0.98 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AUSP30TP53
SCHEMBL8075273 0.97 USP30 (0.47) SMN1; SMN2NPC1RAB9AUSP30TP53
SCHEMBL2897710 0.97 USP30 (0.47) SMN1; SMN2NPC1RAB9AUSP30TP53
SCHEMBL4146420 0.97 USP30 (0.47) SMN1; SMN2NPC1RAB9AUSP30TP53
SCHEMBL2897705 0.97 USP30 (0.47) SMN1; SMN2NPC1RAB9AUSP30TP53
SCHEMBL5479966 0.88 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AUSP30TP53

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027090-A2 MGLUR5 MODULATORS II AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130821-A2 MGLUR5 MODULATORS II ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
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 (4 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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 SMN1; SMN2 1207/4885NPC1 705/4885RAB9A 943/4885
US-20070259916-A1 mGluR5 modulators II GRM5, GRM2, GRIK5 SMN1; SMN2 1076/4885NPC1 969/4885RAB9A 1053/4885
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 SMN1; SMN2 3066/4885NPC1 2424/4885RAB9A 3419/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 SMN1; SMN2 3354/4885NPC1 2449/4885RAB9A 3443/4885

“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.