SCHEMBL27080686

SCHEMBL27080686

COc1nc(Cl)c(C(F)(F)F)cc1C1OCCO1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LRRK2 Q5S007 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
XPO1 O14980 2/20 0.30
AURKA O14965 1/20 0.30
KDR P35968 1/20 0.30
AURKB Q96GD4 1/20 0.30
CFTR P13569 1/20 0.30

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
SCHEMBL6953346 0.75 KMT2A (0.38) LRRK2XPO1AURKAKDRAURKB
SCHEMBL25664481 0.75 NPC1 (0.46) NPC1RAB9AHTR2AHTR2CHTR2B
SCHEMBL23726539 0.71 NPC1 (0.43) NPC1RAB9AHTR2AHTR2CHTR2B
SCHEMBL23725464 0.70 NPC1 (0.45) NPC1RAB9A
SCHEMBL27080371 0.70 PDCD1 (0.40)
SCHEMBL27080366 0.70 PDCD1 (0.40)
SCHEMBL29580627 0.69 KDM4E (0.39) HTR2AHTR2CXPO1AURKAKDR
SCHEMBL20540463 0.69 ALDH1A1 (0.36) XPO1AURKAKDRAURKBCFTR
SCHEMBL23725138 0.69 NPC1 (0.40) NPC1RAB9ALRRK2
SCHEMBL25386568 0.65 NPC1 (0.41) NPC1RAB9A

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-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-25 US disclosed
EP-4313968-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2024-02-07 EP disclosed
CN-117412959-A Substituted 1-aryl-1 '-heteroaryl compounds, substituted 1,1' -biaryl compounds, and methods of use thereof 爱彼特生物制药公司 2024-01-16 CN disclosed
WO-2022208269-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-10-06 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-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME HAVCR2, HDGF, HCCS NPC1 275/4885RAB9A 787/4885LRRK2 1277/4885

“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.