SCHEMBL5595635

SCHEMBL5595635

CC(C)(C)OC(=O)NCc1ccc(NC(=N)N)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.58
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
FPR3 P25089 1/20 0.49
FPR2 P25090 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
XBP1 P17861 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
GAA P10253 1/20 0.46
CYP17A1 P05093 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HPN P05981 1/20 0.45
PTPN11 Q06124 1/20 0.45

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
Hydrochloric Acid SCHEMBL5595297 0.99 NAMPT (0.57) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL14524508 0.91 NAMPT (0.50) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL8253777 0.89 NAMPT (0.60) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL5388847 0.86 NAMPT (0.58) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL10209845 0.84 AURKA (0.52) NAMPTMAPTAURKARPS6KB1CA1
SCHEMBL19694494 0.84 NAMPT (0.62) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL14524512 0.84 NAMPT (0.42) NAMPTMAPTTDP1NPSR1XBP1
SCHEMBL3180689 0.83 L3MBTL1 (0.61) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL15692011 0.83 NAMPT (0.58) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL8245694 0.83 CYP17A1 (0.54) NAMPTMAPTTDP1FPR3FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208521-B2 Selective inhibitors of the urokinase plasminogen activator WILEX AG (DE) 2007-04-24 US disclosed
US-7208521-B2 Selective inhibitors of the urokinase plasminogen activator WILEX AG (DE) 2007-04-24 US disclosed
US-7208521-B2 Selective inhibitors of the urokinase plasminogen activator WILEX AG (DE) 2007-04-24 US disclosed
US-7049460-B1 Selective inhibitors of the urokinase plasminogen activator WILEX AG (DE) 2006-05-23 US disclosed
US-20050215642-A1 Selective inhibitors of the urokinase plasminogen activator WILEX AG (DE) 2005-09-29 US disclosed
EP-1206447-B1 SELECTIVE INHIBITORS OF THE UROKINASE PLASMINOGENE ACTIVATORS WILEX AG (DE) 2004-02-25 EP 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 (1 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-20050215642-A1 Selective inhibitors of the urokinase plasminogen activator PLAU, SERPINE1, PLAUR NAMPT 1450/4885MAPT 3847/4885TDP1 1233/4885

“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.