SCHEMBL6793116

SCHEMBL6793116

[O-][n+]1ccc2cccc(F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.41
BCHE P06276 3/20 0.41
GPR84 Q9NQS5 4/20 0.37
TDO2 P48775 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CHAT P28329 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NFE2L2 Q16236 2/20 0.31
HPRT1 P00492 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
SCHEMBL20292597 0.84 GPR84 (0.37) ACHEBCHEGPR84TDO2
SCHEMBL22094566 0.76 NOS2 (0.32) GPR84
SCHEMBL31309050 0.76 NOS2 (0.32) GPR84
SCHEMBL30727434 0.76 CYP2A6 (0.50) ACHEBCHEGPR84MEN1KMT2A
SCHEMBL31280106 0.76 ACHE (0.39) ACHEBCHEGPR84KMT2AKDM4E
SCHEMBL3696572 0.76 CYP2A6 (0.50) ACHEBCHEGPR84CHATKDM4E
SCHEMBL3579335 0.76 ACHE (0.39) ACHEBCHEGPR84KMT2AKDM4E
SCHEMBL13659534 0.75 ALDH1A1 (0.52) GPR84TDP1HPRT1
SCHEMBL21050685 0.73 GPR84 (0.30) GPR84
SCHEMBL25445732 0.72 CA1 (0.44) ACHEBCHEGPR84CHATKDM4E

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 9 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
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
US-20040122223-A1 Non-natural nucleotides and dinucleotides CELLTECH R & D LIMITED (GB) 2004-06-24 US disclosed
EP-1368366-A1 NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES Celltech R & D Limited (GB) 2003-12-10 EP disclosed
WO-2002062816-A1 NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES CELLTECH R & D LIMITED (GB) 2002-08-15 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 (2 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-20040122223-A1 Non-natural nucleotides and dinucleotides P2RY1, P2RY11, P2RY13 ACHE 3447/4885BCHE 3590/4885GPR84 134/4885
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY ACHE 2896/4885BCHE 396/4885GPR84 1880/4885

“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.