SCHEMBL22094603

SCHEMBL22094603

[N-]=[N+]=NC(=O)/C=C/c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.44
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ GSK3B P49841 2/20 0.33
▸ SNCA P37840 1/20 0.33
▸ TNFRSF1A P19438 1/20 0.33
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ SLC5A1 P13866 1/20 0.31
▸ SLC5A2 P31639 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KRAS P01116 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13768045 0.84 NFE2L2 (0.50) PTGS1PTGS2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13730037 0.83 HSD11B1 (0.56) EGFRHSD11B1TNFRSF1ASLC5A1SLC5A2
SCHEMBL13730038 0.83 HSD11B1 (0.56) EGFRHSD11B1TNFRSF1ASLC5A1SLC5A2
SCHEMBL13489637 0.79 CYP1A1 (0.48) BACE1PTGS2HSD11B1HDAC1HDAC3
SCHEMBL31308838 0.79 CYP1A1 (0.48) BACE1PTGS2HSD11B1HDAC1HDAC3
SCHEMBL13948725 0.76 BACE1 (0.49) BACE1PTGS1PTGS2HDAC1HDAC6
SCHEMBL29910010 0.75 MAPT (0.53) EGFRHDAC1HDAC3HDAC6TNFRSF1A
SCHEMBL13948724 0.75 MAPT (0.53) EGFRHDAC1HDAC3HDAC6TNFRSF1A
SCHEMBL13460135 0.72 ESR1 (0.46) SLC5A1SLC5A2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14416201 0.72 MAPT (0.51) SLC5A1SLC5A2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113923988-B Substituted arylmethyl ureas and heteroarylmethyl ureas, analogs thereof, and methods of using the same 爱彼特生物制药公司 2024-12-13 — — CN disclosed
EP-3893645-B1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2024-04-17 — — EP disclosed
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 — — US disclosed
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 — — US disclosed
CN-113923988-A Substituted arylmethyl and heteroarylmethyl ureas, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-01-11 — — CN disclosed
EP-3893645-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-10-20 — — EP disclosed
WO-2020123674-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-06-18 — — 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-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY BACE1 3479/4885PTGS1 4356/4885PTGS2 4325/4885

“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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