SCHEMBL399468

SCHEMBL399468

COc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 1/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
LMNA P02545 1/20 0.57
CHEK1 O14757 1/20 0.48
AURKA O14965 1/20 0.48
MAP4K4 O95819 1/20 0.48
PRKACA P17612 1/20 0.48
GRK5 P34947 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CDK8 P49336 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
RPS6KA3 P51812 1/20 0.48
PRKX P51817 1/20 0.48

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
SCHEMBL404524 0.89 HDAC6 (0.57) KDM4ESMN1; SMN2NPC1ALDH1A1GLA
SCHEMBL402124 0.88 MAPT (0.54) KDM4ESMN1; SMN2NPC1ALDH1A1GLA
SCHEMBL405032 0.87 ERCC5 (0.54) KDM4ESMN1; SMN2NPC1ALDH1A1GLA
SCHEMBL403158 0.85 HDAC1 (0.62) KDM4ESMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL403589 0.84 HDAC1 (0.44) KDM4ESMN1; SMN2NPC1ALDH1A1GLA
SCHEMBL400478 0.84 TP53 (0.51) KDM4ESMN1; SMN2NPC1ALDH1A1GLA
SCHEMBL5903854 0.82 KDM4E (0.80) KDM4ESMN1; SMN2NPC1ALDH1A1GLA
SCHEMBL1096818 0.80 ANPEP (0.56) ALDH1A1
SCHEMBL401433 0.80 MAPT (0.50) GAAMAPTCHEK1AURKAMAP4K4
SCHEMBL404683 0.79 CA1 (0.58) SMN1; 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP 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-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-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 KDM4E 4327/4885SMN1; SMN2 2296/4885NPC1 371/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KDM4E 4327/4885SMN1; SMN2 2296/4885NPC1 371/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS KDM4E 4327/4885SMN1; SMN2 2296/4885NPC1 371/4885

“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.