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SCHEMBL1048540

SCHEMBL1048540

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ RAB9A P51151 6/20 0.34
▸ NPC1 O15118 5/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ MEN1 O00255 6/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ MAPT P10636 4/20 0.33
▸ TSHR P16473 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ TSPO P30536 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL998452 0.89 TGFBR1 (0.35) LMNARAB9ANPC1HCRTR1HCRTR2
SCHEMBL3703227 0.82 TGFBR1 (0.36) LMNARAB9ANPC1HCRTR1HCRTR2
SCHEMBL365784 0.71 CACNA1G (0.43) RAB9ANPC1MEN1KMT2ATSPO
SCHEMBL1048977 0.69 RECQL (0.39) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL370498 0.69 L3MBTL1 (0.43) RAB9ANPC1MEN1KMT2ATSPO
SCHEMBL369274 0.67 GSK3B (0.40) RAB9ANPC1MEN1KMT2ATSPO
SCHEMBL370412 0.66 CACNA1G (0.40) RAB9ANPC1MEN1KMT2ATSPO
SCHEMBL1051258 0.65 RECQL (0.44) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL370679 0.65 L3MBTL1 (0.44) RAB9ANPC1MEN1KMT2ATSPO
SCHEMBL1051473 0.65 MEN1 (0.41) RAB9ANPC1MEN1KMT2AMAPT

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 LMNA 4660/4885RAB9A 2294/4885NPC1 1731/4885

“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.