SCHEMBL3060481

SCHEMBL3060481

COc1nc(OC)nc(N2CCC(NC(=O)c3cscn3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.48
USP2 O75604 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.43
UTS2R Q9UKP6 1/20 0.42
CCNE1 P24864 6/20 0.42
CDK2 P24941 6/20 0.42
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND3 P30281 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK6 Q00534 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3061487 0.84 MCHR1 (0.44) MCHR1ALDH1A1TDP1UTS2RCCNE1
SCHEMBL4970792 0.76 MCHR1 (0.55) MCHR1UTS2R
SCHEMBL3072691 0.74 ENPP1 (0.57)
SCHEMBL2554945 0.72 RAB9A (0.52) MCHR1ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL28264042 0.72 RAB9A (0.52) MCHR1ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL27124836 0.70 MCHR1 (0.50) MCHR1UTS2R
SCHEMBL417131 0.70 SMYD3 (0.55) MCHR1POLBUTS2R
SCHEMBL3064435 0.69 MCHR1 (0.46) MCHR1UTS2R
SCHEMBL3063007 0.68 MCHR1 (0.45) MCHR1ALDH1A1UTS2RHPGDHSD17B10
SCHEMBL3065900 0.68 USP30 (0.49) MCHR1UTS2R

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 MCHR1 3580/4885USP2 1310/4885ALDH1A1 2954/4885

“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.