SCHEMBL10220902

SCHEMBL10220902

N#Cc1ccc(-c2csc(CO)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.59
VCP P55072 1/20 0.51
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
CDC25C P30307 1/20 0.50
KDM4E B2RXH2 4/20 0.49
AR P10275 1/20 0.47
MEN1 O00255 6/20 0.46
MAPT P10636 6/20 0.46
KMT2A Q03164 6/20 0.46
HTT P42858 2/20 0.46
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
CD74 P04233 1/20 0.43

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
SCHEMBL12327207 0.84 GAA (0.64) GAAVCPCDC25ACDC25BCDC25C
SCHEMBL5093936 0.84 GAA (0.59) GAAVCPCDC25ACDC25BCDC25C
SCHEMBL202106 0.84 GAA (0.59) GAAVCPCDC25ACDC25BCDC25C
SCHEMBL12434487 0.84 GAA (0.59) GAAVCPCDC25ACDC25BCDC25C
SCHEMBL15961060 0.81 GAA (0.56) GAAVCPCDC25ACDC25BCDC25C
SCHEMBL201471 0.78 MEN1 (0.65) GAAVCPKDM4EMEN1MAPT
SCHEMBL4190948 0.78 ALDH1A1 (0.67) CDC25ACDC25BCDC25CKDM4EMEN1
SCHEMBL10222540 0.78 ALDH1A1 (0.58) GAAKDM4EARMEN1MAPT
SCHEMBL6822229 0.78 RAB9A (0.67) GAAKDM4EMEN1MAPTKMT2A
SCHEMBL2706151 0.78 RAB9A (0.65) GAAKDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 EP disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 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 (4 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 GAA 2923/4885VCP 4758/4885CDC25A 848/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 GAA 4454/4885VCP 4800/4885CDC25A 639/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 GAA 3241/4885VCP 4762/4885CDC25A 909/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 GAA 4454/4885VCP 4800/4885CDC25A 639/4885

“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.