SCHEMBL5126441

SCHEMBL5126441

CC(OS(C)(=O)=O)c1nc(-c2cccc(Cl)c2)no1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 4/20 0.47
TSHR P16473 4/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 2/20 0.45
GLA P06280 1/20 0.45
GRM5 P41594 5/20 0.43
MAPK1 P28482 2/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 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
SCHEMBL4660212 0.81 RAB9A (0.51) RAB9AKMT2AMAPTTSHRNPC1
SCHEMBL1544450 0.79 MAPT (0.54) RAB9AKMT2AMAPTTSHRNPC1
SCHEMBL1544728 0.78 MAPT (0.51) RAB9AKMT2AMAPTTSHRNPC1
SCHEMBL1545485 0.78 KCNH2 (0.53) RAB9AKMT2AMAPTTSHRNPC1
SCHEMBL16043113 0.78 MAPT (0.53) RAB9AKMT2AMAPTTSHRNPC1
SCHEMBL22637544 0.78 MAPT (0.53) RAB9AKMT2AMAPTTSHRNPC1
SCHEMBL1544896 0.78 MAPT (0.53) RAB9AKMT2AMAPTTSHRNPC1
SCHEMBL4657888 0.78 MAPT (0.53) RAB9AKMT2AMAPTTSHRNPC1
SCHEMBL1543831 0.78 GRM5 (0.49) RAB9AKMT2AMAPTNPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL22637813 0.77 MAPT (0.52) RAB9AKMT2AMAPTTSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 US disclosed
WO-2007021573-A1 SUBSTITUTED PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US disclosed
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US disclosed
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 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 (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-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists GRM5, GRM1, GRM2 RAB9A 2528/4885KMT2A 890/4885MAPT 1354/4885
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists GRM5, GRM1, GRM2 RAB9A 2528/4885KMT2A 890/4885MAPT 1354/4885

“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.