SCHEMBL104581

SCHEMBL104581

Nc1cc(F)cc(F)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
IDO1 P14902 1/20 0.38
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
VRK1 Q99986 1/20 0.34
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
Hydrochloric Acid SCHEMBL6264319 0.97 ERN1 (0.45) ERN1ALDH1A1CA9CA12CA1
SCHEMBL20049672 0.84 CA9 (0.44) ERN1ALDH1A1CA9CA12CA1
SCHEMBL78286 0.80 ERN1 (0.56) ERN1ALDH1A1CA9CA12CA1
SCHEMBL27540052 0.77 ERN1 (0.54) ERN1CA9CA12CA1IDO1
SCHEMBL103239 0.75 CYP3A4 (0.40) ALDH1A1CA9CA12CA1KDM4E
SCHEMBL9380083 0.75 KDM4E (0.60) ALDH1A1CA9CA12CA1KDM4E
SCHEMBL31253165 0.75 CYP3A4 (0.40) ALDH1A1CA9CA1IDO1KDM4E
SCHEMBL2245908 0.75 CYP3A4 (0.40) ALDH1A1CA9CA1IDO1KDM4E
SCHEMBL21552293 0.75 ALDH1A1 (0.43) ERN1ALDH1A1CA9CA12CA1
SCHEMBL1942808 0.75 ALDH1A1 (0.60) ERN1ALDH1A1KDM4ELMNAGAA

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638442-A1 TRANSIENT RECEPTOR POTENTIAL VANILLOID 6 INHIBITORS Uniquest Pty Limited (AU) 2025-10-29 EP disclosed
WO-2025050125-A1 SUBSTITUTED BENZOXAZOLYLAMINO BENZOXAZOLES IMMVENTION THERAPEUTIX (US) 2025-03-06 WO disclosed
CN-119350386-A Metal compound containing dihydronaphthalene structure and preparation method and application thereof 万华化学集团股份有限公司 2025-01-24 CN disclosed
EP-4247800-B1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2024-11-13 EP disclosed
WO-2024130342-A1 TRANSIENT RECEPTOR POTENTIAL VANILLOID 6 INHIBITORS UNIQUEST PTY LIMITED (AU) 2024-06-27 WO disclosed
EP-4247800-A1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 EP disclosed
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
CN-116438166-A N-substituted 4- (1, 3-aryloxazol-2-yl) phenyl compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
EP-1828176-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2007-09-05 EP disclosed
CN-101001846-A Novel alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-07-18 CN disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO disclosed
WO-2006068904-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2006-06-29 WO disclosed
US-20050209226-A1 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one ACADIA PHARMACEUTICALS INC. 2005-09-22 US disclosed
EP-0409484-B1 4,5,6,7-Tetrasubstituted benzoxazolones PFIZER (US) 1994-06-08 EP disclosed
US-5071863-A Antiallergens; antiinflammatory agents; enzyme inhibitors PFIZER INC. (US) 1991-12-10 US disclosed
EP-0409484-A2 4,5,6,7-Tetrasubstituted benzoxazolones PFIZER INC. (US) 1991-01-23 EP disclosed
US-4263441-A BENZOXAZOLE DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-04-21 US disclosed
EP-0002030-A1 Fluorinated benzazole derivatives, method for their preparation and their use as optical brighteners HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-30 EP 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-20050209226-A1 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one CHRNA4, CHRNA2, CHRNA5 ERN1 3002/4885ALDH1A1 1911/4885CA9 4748/4885
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2E1, CYP7A1 ERN1 1434/4885ALDH1A1 225/4885CA9 4116/4885

“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.