SCHEMBL3065900

SCHEMBL3065900

N#Cc1ccnc(N2CCC(NC(=O)c3cscn3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.49
MCHR1 Q99705 1/20 0.47
MALT1 Q9UDY8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
GPR6 P46095 1/20 0.46
CHRM4 P08173 1/20 0.45
UTS2R Q9UKP6 1/20 0.43
PANK3 Q9H999 1/20 0.43
GRM5 P41594 2/20 0.41
CCR2 P41597 1/20 0.41
PRKAA2 P54646 2/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41

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
SCHEMBL5220987 0.81 USP30 (0.57) USP30MALT1HRH3CHRM4PANK3
SCHEMBL22686737 0.80 USP30 (0.56) USP30MALT1HRH3CHRM4PANK3
SCHEMBL21227887 0.75 CKS1B (0.53) USP30MALT1HRH3CHRM4PANK3
SCHEMBL3282462 0.75 USP30 (0.47) USP30MALT1HRH3CHRM4PANK3
SCHEMBL3064435 0.74 MCHR1 (0.46) USP30MCHR1UTS2RCCR2
SCHEMBL4970792 0.73 MCHR1 (0.55) MCHR1UTS2RGRM5
SCHEMBL1990732 0.73 MALT1 (0.59) USP30MALT1HRH3CHRM4PANK3
SCHEMBL22686015 0.72 POLB (0.55) USP30MALT1PANK3
SCHEMBL29655962 0.72 POLB (0.55) USP30MALT1PANK3
SCHEMBL25818614 0.71 KDM4E (0.58) USP30MALT1HRH3CHRM4PANK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB USP30 2835/4885MCHR1 3580/4885MALT1 1601/4885

“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.