SCHEMBL10147338

SCHEMBL10147338

Cc1cccc(COc2c(C3=CCCS3)c(=O)[nH]c3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
ACHE P22303 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
MAOA P21397 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
NPC1 O15118 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
SCHEMBL935992 0.79 PDE2A (0.51) MAPTTDP1ALDH1A1
SCHEMBL12155716 0.76 KDM4E (0.49) MAOBMAPTTDP1CTSVCTSL
SCHEMBL6350424 0.69 MAPT (0.43) MAPTCTSVCTSLKDM4EALDH1A1
SCHEMBL30463386 0.67 IDO1 (0.56) MAOBMAPTTDP1ACHETHRA
SCHEMBL935062 0.67 PDE2A (0.51) MAOBMAPTHDAC1HDAC6MAOA
SCHEMBL2680388 0.66 PDE2A (0.54) HDAC1HDAC6CTSVCTSLKDM4E
SCHEMBL10146697 0.64 FASN (0.46) KDM4EALDH1A1
SCHEMBL6351855 0.64 PADI4 (0.50) MAPTALDH1A1RAB9A
SCHEMBL6349695 0.63 PDE2A (0.52)
SCHEMBL14970200 0.62 HDAC1 (0.51) MAOBHDAC1HDAC6CTSVCTSL

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-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 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-20120115885-A1 Quinolinone PDE2 Inhibitors PDE12, PDE2A, PDE4A MAOB 103/4885MAPT 1502/4885TDP1 62/4885

“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.