SCHEMBL404524

SCHEMBL404524

COc1cccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.57
CHEK1 O14757 1/20 0.55
AURKA O14965 1/20 0.55
MAP4K4 O95819 1/20 0.55
PRKACA P17612 1/20 0.55
GRK5 P34947 1/20 0.55
CSNK1A1 P48729 1/20 0.55
CDK8 P49336 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
RPS6KA3 P51812 1/20 0.55
PRKX P51817 1/20 0.55
PRKCQ Q04759 1/20 0.55
ACVR1 Q04771 1/20 0.55
ROCK1 Q13464 1/20 0.55
AURKB Q96GD4 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
HSD17B2 P37059 12/20 0.50
HSD17B1 P14061 10/20 0.50
KDM4E B2RXH2 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
SCHEMBL399468 0.89 KDM4E (0.60) HDAC6CHEK1AURKAMAP4K4PRKACA
SCHEMBL401433 0.89 MAPT (0.50) HDAC6CHEK1AURKAMAP4K4PRKACA
SCHEMBL403158 0.86 HDAC1 (0.62) KDM4ESMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL12663202 0.84 HDAC6 (0.69) HDAC6CHEK1AURKAMAP4K4PRKACA
SCHEMBL13654410 0.83 CHEK1 (0.55) HDAC6CHEK1AURKAMAP4K4PRKACA
SCHEMBL401550 0.81 ACKR3 (0.51) HSD17B2HSD17B1KDM4ESMN1; SMN2NPC1
SCHEMBL405032 0.81 ERCC5 (0.54) HDAC6CHEK1AURKAMAP4K4PRKACA
SCHEMBL1109415 0.80 ROCK2 (0.52) CHEK1PRKACAGSK3AGSK3BPRKX
SCHEMBL402124 0.80 MAPT (0.54) HDAC6CHEK1AURKAMAP4K4PRKACA
SCHEMBL400478 0.78 TP53 (0.51) HDAC6KDM4ESMN1; SMN2NPC1ALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (3 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS HDAC6 660/4885CHEK1 4092/4885AURKA 3858/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC6 660/4885CHEK1 4092/4885AURKA 3858/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS HDAC6 660/4885CHEK1 4092/4885AURKA 3858/4885

“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.