SCHEMBL3559323

SCHEMBL3559323

CCOC(=O)CN(Cc1cc(C)nc(-n2ccnc2)n1)C(=O)NCC(Cc1ccccc1)C1=COCO1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 17/20 0.39
NOS1 P29475 5/20 0.37
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NAMPT P43490 2/20 0.32

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
SCHEMBL3562263 0.91 NOS2 (0.41) NOS2NOS1KDM4ETSHRMAPK1
SCHEMBL3556345 0.82 NOS2 (0.55) NOS2NOS1
SCHEMBL3559321 0.76 NOS2 (0.67) NOS2NOS1
SCHEMBL3561754 0.73 NOS2 (0.53) NOS2NOS1
SCHEMBL3614975 0.72 NOS2 (0.45) NOS2NOS1
SCHEMBL3564163 0.72 NOS2 (0.40) NOS2NOS1
SCHEMBL3558824 0.70 NOS2 (0.35) NOS2NOS1TSHRMAPK1
SCHEMBL3556830 0.70 NOS2 (0.35) NOS2NOS1TSHRMAPK1
SCHEMBL3559917 0.70 NOS2 (0.35) NOS2NOS1TSHRMAPK1
SCHEMBL3570486 0.70 NOS2 (0.39) NOS2NOS1KDM4ETSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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 (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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 NOS2 2/4885NOS1 3/4885KDM4E 1567/4885

“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.