SCHEMBL403130

SCHEMBL403130

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2cccnc2)cc1)C(=O)NO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.58
MKNK2 Q9HBH9 3/20 0.58
DEGS1 O15121 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
NAMPT P43490 1/20 0.46
RAB9A P51151 1/20 0.46
ADAM17 P78536 1/20 0.45
HDAC1 Q13547 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
MAP4K4 O95819 1/20 0.44
CDK1 P06493 1/20 0.44
CSF1R P07333 1/20 0.44
PRKACA P17612 1/20 0.44
FLT1 P17948 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK1 P28482 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
SCHEMBL14400853 1.00 MKNK1 (0.58) MKNK1MKNK2DEGS1NPC1LMNA
SCHEMBL13267488 0.89 MKNK1 (0.56) MKNK1MKNK2DEGS1NPC1LMNA
SCHEMBL9925906 0.88 MKNK1 (0.49) MKNK1MKNK2DEGS1NPC1LMNA
SCHEMBL404445 0.87 HDAC1 (0.46) HDAC1ROCK2RPS6KA5MAP4K4CDK1
SCHEMBL13267214 0.86 HDAC1 (0.58) MKNK2HDAC1ROCK2RPS6KA5MAP4K4
SCHEMBL14195919 0.86 NPC1 (0.54) NPC1LMNAGAARAB9AHDAC1
SCHEMBL255200 0.86 NPC1 (0.54) NPC1LMNAGAARAB9AHDAC1
SCHEMBL1109322 0.86 NPC1 (0.54) NPC1LMNAGAARAB9AHDAC1
SCHEMBL401135 0.86 NPC1 (0.54) NPC1LMNAGAARAB9AHDAC1
SCHEMBL403137 0.86 NPC1 (0.54) NPC1LMNAGAARAB9AHDAC1

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
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 MKNK1 2816/4885MKNK2 3634/4885DEGS1 933/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MKNK1 2816/4885MKNK2 3634/4885DEGS1 933/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MKNK1 2816/4885MKNK2 3634/4885DEGS1 933/4885

“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.