SCHEMBL4089121

SCHEMBL4089121

NC(=O)Nc1cccc(-c2cccs2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.51
HDAC2 Q92769 10/20 0.51
HDAC3 O15379 9/20 0.51
HTR1A P08908 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CCKAR P32238 1/20 0.51
HTR5A P47898 1/20 0.51
NQO2 P16083 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FYN P06241 1/20 0.46
CHEK1 O14757 1/20 0.45
KIF11 P52732 1/20 0.44

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
SCHEMBL4092063 0.85 KIF11 (0.51) HDAC1HDAC2HDAC3MAPTKIF11
SCHEMBL592446 0.84 NQO2 (0.66) HDAC1HDAC2HDAC3HTR1AADORA3
SCHEMBL30949380 0.83 MGLL (0.63) HTR1AADORA3CCKARHTR5ANQO2
SCHEMBL27964923 0.81 JAK3 (0.50) HDAC1HDAC2HDAC3HTR1AADORA3
SCHEMBL30949373 0.80 MEN1 (0.64) MAPTSMN1; SMN2
SCHEMBL30949379 0.80 AURKB (0.62) MAPT
SCHEMBL20557483 0.79 CNR1 (0.68)
SCHEMBL30469266 0.79 CNR1 (0.68)
SCHEMBL30949376 0.79 AURKB (0.62) MAPT
SCHEMBL30949383 0.79 NPC1 (0.59) HTR1AADORA3CCKARHTR5AMAPT

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-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. 2009-08-13 US disclosed
WO-2007130743-A2 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2007-11-15 WO disclosed
US-7294616-B2 Capreomycin derivatives and their use as antibacterials ARRAY BIOPHARMA, INC. (US) 2007-11-13 US disclosed
WO-2006052499-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2006-05-18 WO disclosed
US-20060094644-A1 Capreomycin derivatives and their use as antibacterials ARRAY BIOPHARMA, INC. 2006-05-04 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 (2 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-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS CAPRIN1, NISCH, RPIA HDAC1 2318/4885HDAC2 1224/4885HDAC3 1872/4885
US-20060094644-A1 Capreomycin derivatives and their use as antibacterials SPOUT1, CAPRIN1, FBL HDAC1 1070/4885HDAC2 1174/4885HDAC3 1332/4885

“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.