SCHEMBL3559917

SCHEMBL3559917

CC(C)[C@@H](Nc1nc(-n2ccnc2)ns1)C(=O)NCC(Cc1ccccc1)C1=COCO1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 17/20 0.35
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS1 P29475 11/20 0.32
CD38 P28907 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL3558824 1.00 NOS2 (0.35) NOS2TSHRNPC1HSD17B10NOS1
SCHEMBL3556830 1.00 NOS2 (0.35) NOS2TSHRNPC1HSD17B10NOS1
SCHEMBL3568583 0.93 NOS2 (0.35) NOS2TSHRNPC1HSD17B10NOS1
SCHEMBL3614975 0.81 NOS2 (0.45) NOS2NOS1
SCHEMBL3556345 0.76 NOS2 (0.55) NOS2NOS1CD38
SCHEMBL3566903 0.75 NOS2 (0.50) NOS2NOS1
SCHEMBL3567894 0.74 NOS2 (0.56) NOS2NOS1
SCHEMBL3556825 0.73 NOS2 (0.58) NOS2NOS1
SCHEMBL3559911 0.73 NOS2 (0.58) NOS2NOS1
SCHEMBL3558821 0.73 NOS2 (0.58) 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 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 NOS2 2/4885TSHR 788/4885NPC1 3827/4885

“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.