SCHEMBL3565761

SCHEMBL3565761

Cc1cc(C(C)NCCNCc2ccc(OC(C)C)cc2)nc(-n2ccnc2)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 0.54
NOS1 P29475 5/20 0.51
PDE5A O76074 2/20 0.37
TBXAS1 P24557 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
MAPK1 P28482 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB1 P08588 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL3568116 0.86 NOS2 (0.53) NOS2NOS1PDE5AADRB1ADRB2
SCHEMBL3571417 0.82 NOS2 (0.51) NOS2NOS1
SCHEMBL3561791 0.82 NOS2 (0.51) NOS2NOS1
SCHEMBL3567121 0.81 NOS2 (0.68) NOS2NOS1
SCHEMBL3559822 0.81 NOS2 (0.75) NOS2NOS1
SCHEMBL13037274 0.80 NOS2 (0.51) NOS2NOS1
SCHEMBL13037139 0.79 NOS2 (0.59) NOS2NOS1
SCHEMBL3571987 0.75 NOS2 (0.74) NOS2NOS1
SCHEMBL3571983 0.72 NOS2 (0.73) NOS2NOS1
SCHEMBL3569287 0.70 NOS2 (1.00) NOS2NOS1

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
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-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 3/4885PDE5A 261/4885

“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.