SCHEMBL22094445

SCHEMBL22094445

COc1ncc(CO)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
DPP4 P27487 1/20 0.43
MAPT P10636 3/20 0.38
CASP1 P29466 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP7 P55210 1/20 0.36
HIF1A Q16665 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL31309148 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19DPP4MAPT
SCHEMBL22094015 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19DPP4MAPT
SCHEMBL31309047 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19MAPTCASP1
SCHEMBL20669649 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19MAPTCASP1
SCHEMBL24968892 0.82 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19MAPTCYP3A4
SCHEMBL30851273 0.82 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19MAPTCYP3A4
SCHEMBL24968891 0.82 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19MAPTCASP1
SCHEMBL30851283 0.82 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19MAPTCASP1
SCHEMBL22094249 0.81 SLC6A2 (0.47) ALDH1A1CYP1A2CYP2C19CYP2D6KMT2A
SCHEMBL31308963 0.81 SLC6A2 (0.47) ALDH1A1CYP1A2CYP2C19CYP2D6KMT2A

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 ALDH1A1 2620/4885CYP1A2 563/4885CYP2C19 343/4885

“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.