SCHEMBL30975231

SCHEMBL30975231

CC(C)(CNC(=O)OC(C)(C)C)Cn1cc(C#N)c2ccc(Br)cc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ AAK1 Q2M2I8 2/20 0.42
▸ IMPDH2 P12268 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CAMK2D Q13557 1/20 0.39
▸ CTSS P25774 2/20 0.37
▸ CTSK P43235 2/20 0.37
▸ CTSB P07858 1/20 0.37
▸ FPR3 P25089 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ KRAS P01116 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PRPS1 P60891 1/20 0.35

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
SCHEMBL22152010 1.00 SMN1; SMN2 (0.48) SMN1; SMN2GAAAAK1IMPDH2NPSR1
SCHEMBL22122364 0.88 SMN1; SMN2 (0.51) SMN1; SMN2GAAIMPDH2NPSR1POLB
SCHEMBL22122243 0.82 SMN1; SMN2 (0.47) SMN1; SMN2GAAIMPDH2NPSR1POLB
SCHEMBL22152011 0.81 SMN1; SMN2 (0.45) SMN1; SMN2GAAAAK1IMPDH2NPSR1
SCHEMBL30975237 0.81 SMN1; SMN2 (0.45) SMN1; SMN2GAAAAK1IMPDH2NPSR1
SCHEMBL22122212 0.81 SMN1; SMN2 (0.48) SMN1; SMN2GAAAAK1IMPDH2NPSR1
SCHEMBL22122433 0.79 SMN1; SMN2 (0.49) SMN1; SMN2GAAIMPDH2NPSR1POLB
SCHEMBL28657765 0.78 SMN1; SMN2 (0.47) SMN1; SMN2GAAAAK1IMPDH2NPSR1
SCHEMBL22122214 0.77 SMN1; SMN2 (0.46) SMN1; SMN2GAAIMPDH2NPSR1POLB
SCHEMBL22122211 0.76 SMN1; SMN2 (0.47) SMN1; SMN2GAAIMPDH2NPSR1POLB

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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-02 — — 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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS SMN1; SMN2 4348/4885GAA 3216/4885AAK1 1505/4885

“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.

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