SCHEMBL24809451

SCHEMBL24809451

COc1nc(C)cn1C(=O)NCCCOC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 4/20 0.35
KDM4E B2RXH2 5/20 0.34
POLB P06746 1/20 0.34
CFD P00746 1/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL24810850 0.85 ASAH1 (0.36) ASAH1
SCHEMBL24810679 0.80 L3MBTL1 (0.51) ASAH1ALDH1A1HPGD
SCHEMBL23132222 0.80 ASAH1 (0.33) ASAH1
SCHEMBL24811222 0.79 HHAT (0.40) ASAH1
SCHEMBL24809415 0.79 ASAH1 (0.34) ASAH1
SCHEMBL24809770 0.76 ASAH1 (0.57) ASAH1
SCHEMBL24809432 0.76 ASAH1 (0.60) ASAH1
SCHEMBL23131769 0.76 TP53 (0.39) KDM4EHSD17B10USP2ALDH1A1HPGD
SCHEMBL24810689 0.73 ASAH1 (0.51) ASAH1ALDH1A1
SCHEMBL23601914 0.69 ASAH1 (0.43) ASAH1

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
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

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 ASAH1 16/4885KDM4E 701/4885POLB 2136/4885

“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.