SCHEMBL10208317

SCHEMBL10208317

CC(C)(C)OC(=O)NCc1cccc(CNC(=N)N)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 5/20 0.57
KDM4A O75164 1/20 0.49
BRD4 O60885 3/20 0.46
CREBBP Q92793 1/20 0.45
GRM2 Q14416 1/20 0.44
IDO1 P14902 1/20 0.44
NAMPT P43490 2/20 0.44
HPN P05981 1/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NQO2 P16083 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL27118164 0.89 HDAC1 (0.54) GLSKDM4ABRD4CREBBPGRM2
SCHEMBL7865700 0.87 GLS (0.58) GLSKDM4ABRD4CREBBPIDO1
SCHEMBL10209845 0.87 AURKA (0.52) GLSKDM4ABRD4CREBBPGRM2
SCHEMBL17551589 0.87 AURKA (0.57) GLSBRD4NAMPTAURKARPS6KB1
SCHEMBL7787966 0.86 GLS (0.52) GLSKDM4ABRD4CREBBPGRM2
SCHEMBL14986954 0.86 GLS (0.57) GLSKDM4ABRD4CREBBPGRM2
SCHEMBL184953 0.86 GLS (0.54) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL694491 0.84 GLS (0.56) GLSKDM4ABRD4CREBBPIDO1
Hydrochloric Acid SCHEMBL31609012 0.84 GLS (0.53) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL8342682 0.84 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 GLS 1120/4885KDM4A 2119/4885BRD4 421/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 GLS 1120/4885KDM4A 2119/4885BRD4 421/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GLS 1120/4885KDM4A 2119/4885BRD4 421/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GLS 1120/4885KDM4A 2119/4885BRD4 421/4885

“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.