SCHEMBL3107804

SCHEMBL3107804

CC(=O)c1noc(-c2cccc(C)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
GRM5 P41594 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.50
TP53 P04637 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CASP3 P42574 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC8 Q9BY41 1/20 0.48
POLB P06746 2/20 0.46

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
SCHEMBL14959517 0.82 HDAC6 (0.68) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL3108887 0.82 NPC1 (0.49) RAB9ANPC1GRM5SMN1; SMN2KDM4E
SCHEMBL12494 0.77 RAB9A (0.64) RAB9ANPC1GRM5SMN1; SMN2KDM4E
SCHEMBL11511545 0.76 HDAC6 (0.58) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL13882259 0.76 RAB9A (0.77) RAB9ANPC1GRM5SMN1; SMN2KDM4E
SCHEMBL12171450 0.75 RAB9A (0.71) RAB9ANPC1GRM5SMN1; SMN2KDM4E
SCHEMBL19131261 0.75 NPC1 (0.66) RAB9ANPC1GRM5SMN1; SMN2KDM4E
SCHEMBL60082 0.75 RAB9A (0.71) RAB9ANPC1GRM5SMN1; SMN2KDM4E
SCHEMBL29012669 0.74 RAB9A (0.79) RAB9ANPC1GRM5SMN1; SMN2KDM4E
SCHEMBL30414780 0.74 RAB9A (0.79) RAB9ANPC1GRM5SMN1; SMN2KDM4E

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-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US claimed
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US disclosed
WO-2010123451-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2010-10-28 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-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 GRM5, GRM3, GRIK5 RAB9A 821/4885NPC1 2401/4885GRM5 1/4885

“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.