SCHEMBL3558771

SCHEMBL3558771

Cc1cc(C2NCCC2c2nccs2)nc(-n2ccnc2)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 0.36
NOS1 P29475 5/20 0.36
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
CD38 P28907 1/20 0.30

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
SCHEMBL13074147 0.81 NOS2 (0.34) NOS2NOS1
SCHEMBL5320270 0.79 NOS2 (0.40) NOS2NOS1CD38
SCHEMBL3558612 0.78 NOS2 (0.37) NOS2NOS1MAPTKDM4ECD38
SCHEMBL3568596 0.75 NOS2 (0.39) NOS2NOS1CD38
SCHEMBL3571980 0.74 NOS2 (0.42) NOS2NOS1
SCHEMBL3566689 0.73 NOS2 (0.43) NOS2NOS1CD38
SCHEMBL5200864 0.73 ADORA2A (0.33)
SCHEMBL3562054 0.73 NOS2 (0.41) NOS2NOS1CYP1A2CYP2D6CYP2C9
SCHEMBL3559222 0.72 NOS2 (0.42) NOS2NOS1MAPTKDM4ECD38
SCHEMBL3568630 0.67 NOS2 (0.56) 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 3/4885MAPT 4735/4885

“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.