SCHEMBL25004044

SCHEMBL25004044

CCC(C)(C)c1cn(C(C)C)c(=O)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
CYP2C9 P11712 1/20 0.37
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL25004046 0.84 L3MBTL1 (0.40) SMN1; SMN2L3MBTL1TDP1TSHRHSD17B10
SCHEMBL25003226 0.74 HTR3A (0.36) L3MBTL1TDP1TSHRHSD17B10ALDH1A1
SCHEMBL18286388 0.72 BRD4 (0.43) SMN1; SMN2L3MBTL1TDP1TSHRHSD17B10
SCHEMBL1757958 0.70 L3MBTL1 (0.42) SMN1; SMN2L3MBTL1TDP1TSHRHSD17B10
SCHEMBL21904789 0.70 L3MBTL1 (0.42) SMN1; SMN2L3MBTL1TDP1TSHRHSD17B10
SCHEMBL25003917 0.70 ALDH1A1 (0.52) SMN1; SMN2L3MBTL1TDP1TSHRHSD17B10
SCHEMBL22094637 0.69 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1TDP1TSHRHSD17B10
SCHEMBL31309060 0.69 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1TDP1TSHRHSD17B10
SCHEMBL9914279 0.67 TSHR (0.38) SMN1; SMN2TDP1TSHRALDH1A1CYP2C9
SCHEMBL20689952 0.66 GPR84 (0.50) ALDH1A1CCNT1CDK9LMNACDK2

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-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 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-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY SMN1; SMN2 3865/4885L3MBTL1 959/4885TDP1 3687/4885

“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.