SCHEMBL24809346

SCHEMBL24809346

COc1nc(C(C)(C)C)cn1C(=O)NCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.38
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RUNX1 Q01196 1/20 0.35
MCL1 Q07820 1/20 0.35
CBFB Q13951 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 4/20 0.33
TRPV1 Q8NER1 1/20 0.33
BRD4 O60885 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 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
SCHEMBL24810581 0.88 ASAH1 (0.38) ASAH1TP53ALDH1A1KMT2AKDM4E
SCHEMBL24809410 0.87 HPGD (0.38) ASAH1TP53ALDH1A1KMT2AKDM4E
SCHEMBL24809412 0.85 BRD4 (0.36) ASAH1ALDH1A1KDM4EGLAGAA
SCHEMBL24810815 0.83 PDE10A (0.38) KMT2ASMN1; SMN2MAPK1
SCHEMBL24809677 0.83
SCHEMBL24809756 0.78 ASAH1 (0.36) ASAH1NPSR1BRD4LMNASMN1; SMN2
SCHEMBL24809468 0.77 HPGD (0.36) ASAH1TP53ALDH1A1KMT2AKDM4E
SCHEMBL24809400 0.77 ASAH1 (0.48) ASAH1ALDH1A1GAAMAPTNPSR1
SCHEMBL24809406 0.77 NAMPT (0.36) ASAH1KMT2AMEN1TRPV1BRD4
SCHEMBL24810656 0.75 HPGDS (0.36) ALDH1A1KMT2AKDM4EMAPTPOLB

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-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 16/4885TP53 1076/4885ALDH1A1 1398/4885

“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.