SCHEMBL3560159

SCHEMBL3560159

O=C(O)[C@H]1CCCN1c1nc(-n2ccnc2)ns1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 2/20 0.42
NOS2 P35228 12/20 0.39
CD38 P28907 3/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL3560162 1.00 PORCN (0.42) PORCNNOS2CD38KMT2ASMN1; SMN2
SCHEMBL3563583 1.00 PORCN (0.42) PORCNNOS2CD38KMT2ASMN1; SMN2
SCHEMBL3561824 0.97 NOS2 (0.40) PORCNNOS2CD38
SCHEMBL3561819 0.97 NOS2 (0.40) PORCNNOS2CD38
SCHEMBL3563224 0.81 GAA (0.36) NOS2CD38KMT2A
SCHEMBL3558401 0.81 GAA (0.36) NOS2CD38KMT2A
SCHEMBL3564868 0.81 GAA (0.36) NOS2CD38KMT2A
SCHEMBL3563649 0.77 CHEK1 (0.47) PORCNNOS2CD38KMT2ASMN1; SMN2
SCHEMBL3563642 0.77 CHEK1 (0.47) PORCNNOS2CD38KMT2ASMN1; SMN2
SCHEMBL19704898 0.77 NOS2 (0.57) NOS2CD38

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 2 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-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 PORCN 4110/4885NOS2 2/4885CD38 3165/4885

“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.