SCHEMBL23124181

SCHEMBL23124181

CC(C)C#CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD3 P35462 1/20 0.45
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CASP3 P42574 3/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
GLS O94925 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 3/20 0.41
ELANE P08246 1/20 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
SCHEMBL236347 0.79 CA12 (0.54) ALDH1A1POLBGAASMN1; SMN2NPSR1
SCHEMBL6357561 0.78 DRD3 (0.51) ALDH1A1POLBGAASMN1; SMN2NPSR1
SCHEMBL20931184 0.76 ALDH1A1 (0.47) ALDH1A1POLBGAASMN1; SMN2NPSR1
SCHEMBL4578025 0.76 ALDH1A1 (0.47) ALDH1A1POLBGAASMN1; SMN2NPSR1
SCHEMBL10851246 0.74 ALDH1A1 (0.52) ALDH1A1POLBGAASMN1; SMN2NPSR1
SCHEMBL9698514 0.74 ALDH1A1 (0.49) ALDH1A1POLBGAASMN1; SMN2NPSR1
SCHEMBL1862779 0.74 ALDH1A1 (0.49) ALDH1A1POLBGAASMN1; SMN2NPSR1
SCHEMBL4632890 0.74 ALDH1A1 (0.49) ALDH1A1POLBGAASMN1; SMN2NPSR1
SCHEMBL10422970 0.73 SMN1; SMN2 (0.48) ALDH1A1POLBGAASMN1; SMN2NPSR1
SCHEMBL946186 0.72 CASP3 (0.50) ALDH1A1DRD3CASP3CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-29 US disclosed
EP-4031531-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787135-A Substituted imidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
WO-2021055612-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO 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-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, CLN6 ALDH1A1 1398/4885POLB 2136/4885GAA 2/4885

“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.