Sugi Predict

Sugi Predict / Compounds / SCHEMBL998452

SCHEMBL998452

SCHEMBL998452

COc1ccc(Cn2cc(-c3csc(Oc4cccc(C)n4)n3)c(C(C)=O)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ LMNA P02545 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1I Q9P0X4 1/20 0.33
▸ APP P05067 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ KDM1A O60341 1/20 0.33

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
SCHEMBL1048540 0.89 LMNA (0.34) TGFBR1MAPK14HCRTR1HCRTR2NPC1
SCHEMBL3703227 0.86 TGFBR1 (0.36) TGFBR1MAPK14HCRTR1HCRTR2NPC1
SCHEMBL1048977 0.72 RECQL (0.39) NPC1KMT2ARAB9AMEN1HTT
SCHEMBL1051258 0.68 RECQL (0.44) NPC1KMT2ARAB9AMEN1HTT
SCHEMBL899018 0.68 AADAT (0.45) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL369192 0.67 AADAT (0.44) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL6837473 0.66 AADAT (0.43) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL1051473 0.66 MEN1 (0.41) NPC1KMT2ARAB9AMEN1HTT
SCHEMBL15182528 0.64 CDC7 (0.40) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL4237882 0.63 MEN1 (0.57) NPC1KMT2ARAB9AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513252-B2 Pyrazole derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-08-20 — — US disclosed
EP-2456769-B1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-06-26 — — EP disclosed
EP-2456769-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2012-05-30 — — EP disclosed
US-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NISSAN MOTOR CO., LTD. (JP) 2012-05-17 — — US disclosed
WO-2011010222-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-01-27 — — 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 (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-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM1, GRM4, GRM3 TGFBR1 1403/4885MAPK14 1302/4885HCRTR1 228/4885

“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.