SCHEMBL12895346

SCHEMBL12895346

O=Nc1ccccc1-n1cc(-c2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
CREBBP Q92793 3/20 0.38
GRM4 Q14833 7/20 0.35
HSP90AA1 P07900 1/20 0.33
MELK Q14680 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 1/20 0.33
HTR2B P41595 1/20 0.33
MTNR1A P48039 1/20 0.33
KCNH2 Q12809 1/20 0.33
HPGDS O60760 1/20 0.33
ALKBH2 Q6NS38 1/20 0.33
MAP4K4 O95819 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7803870 0.75 MAPT (0.46) L3MBTL1CREBBPGRM4MELKMEN1
SCHEMBL1207015 0.75 L3MBTL1 (0.42) L3MBTL1CREBBPGRM4MEN1NPC1
SCHEMBL1206604 0.72 HSP90AA1 (0.52) L3MBTL1HSP90AA1MEN1NPC1RAB9A
SCHEMBL515503 0.71 GAA (0.59) L3MBTL1GRM4HSP90AA1MELKMEN1
SCHEMBL7805608 0.71 AVPR2 (0.49) CREBBPMEN1NPC1RAB9AKMT2A
SCHEMBL17736002 0.70 GAA (0.57) L3MBTL1GRM4HSP90AA1MELKNPC1
SCHEMBL513941 0.70 GAA (0.52) L3MBTL1GRM4HSP90AA1MELKNPC1
SCHEMBL13408735 0.67 GRM4 (0.40) L3MBTL1CREBBPGRM4GRM5HTR2B
SCHEMBL19902125 0.67 NPC1 (0.46) L3MBTL1CREBBPGRM4NPC1RAB9A
SCHEMBL23845540 0.65 GRM4 (0.41) L3MBTL1GRM4MELKHTR2BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 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 (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-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 L3MBTL1 3254/4885CREBBP 287/4885GRM4 3862/4885

“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.