SCHEMBL3559652

SCHEMBL3559652

CCOC(=O)C1CCN(C)C1c1cc(C)nc(-n2ccnc2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.42
NOS1 P29475 4/20 0.42
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CD38 P28907 7/20 0.38
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37

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
SCHEMBL3558453 0.86 NOS2 (0.43) NOS2NOS1KDM4ECD38MEN1
SCHEMBL27712178 0.85 NOS2 (0.43) NOS2NOS1CD38
SCHEMBL3563497 0.85 NOS2 (0.41) NOS2NOS1KDM4ETSHRMAPK1
SCHEMBL3559222 0.82 NOS2 (0.42) NOS2NOS1KDM4ETSHRMAPK1
SCHEMBL28767721 0.78 NOS2 (0.42) NOS2NOS1CD38CYP2D6CYP2C19
SCHEMBL5229024 0.76 NOS2 (0.44) NOS2NOS1KDM4ETSHRMAPK1
SCHEMBL27691987 0.74 NOS2 (0.44) NOS2NOS1CD38
SCHEMBL13037182 0.74 NOS2 (0.62) NOS2NOS1
SCHEMBL13037184 0.74 NOS2 (0.69) NOS2NOS1
SCHEMBL3558024 0.73 NOS2 (0.43) NOS2NOS1CD38

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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
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.