SCHEMBL30003296

SCHEMBL30003296

CC(=O)N1CC(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 1.00
KCNN4 O15554 2/20 0.56
KCNA3 P22001 2/20 0.56
HSD17B3 P37058 4/20 0.51
CES1 P23141 1/20 0.49
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL1048074 1.00 NOTUM (1.00) NOTUMKCNN4KCNA3HSD17B3CES1
SCHEMBL7003872 0.85 NOTUM (0.73) NOTUMKCNN4KCNA3HSD17B3CES1
SCHEMBL68594 0.84 NOTUM (0.72) NOTUMHSD17B3CYP2D6CYP2C9LMNA
SCHEMBL5711999 0.82 NOTUM (0.70) NOTUMKCNN4KCNA3CES1CYP2C9
SCHEMBL642025 0.82 NOTUM (0.70) NOTUMHSD17B3CYP2D6CYP2C9LMNA
SCHEMBL68111 0.80 KCNN4 (0.68) NOTUMKCNN4KCNA3LMNARAB9A
SCHEMBL30667212 0.79 NOTUM (0.64) NOTUMKCNN4KCNA3LMNARAB9A
SCHEMBL7004709 0.79 NOTUM (0.64) NOTUMKCNN4KCNA3LMNARAB9A
SCHEMBL5712023 0.77 NOTUM (0.62) NOTUMKCNN4KCNA3HSD17B3LMNA
SCHEMBL4802697 0.75 HSD17B3 (0.64) NOTUMHSD17B3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 US disclosed
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS NOTUM 4253/4885KCNN4 4564/4885KCNA3 3539/4885

“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.