SCHEMBL1968882

SCHEMBL1968882

ON=Cc1cc(F)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.48
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
USP2 O75604 1/20 0.40

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
SCHEMBL1968880 1.00 NFE2L2 (0.48) NFE2L2ALDH1A1LMNAL3MBTL1CES2
SCHEMBL2924111 1.00 NFE2L2 (0.48) NFE2L2ALDH1A1LMNAL3MBTL1CES2
Hydrochloric Acid SCHEMBL28115149 0.98 NFE2L2 (0.47) NFE2L2ALDH1A1LMNAL3MBTL1CES2
SCHEMBL2928249 0.83 GRIN2D (0.61) NFE2L2ALDH1A1LMNAL3MBTL1CES2
SCHEMBL29775672 0.83 GRIN2D (0.61) NFE2L2ALDH1A1LMNAL3MBTL1CES2
SCHEMBL1931856 0.83 GRIN2D (0.61) NFE2L2ALDH1A1LMNAL3MBTL1CES2
SCHEMBL1931859 0.83 GRIN2D (0.61) NFE2L2ALDH1A1LMNAL3MBTL1CES2
SCHEMBL24885801 0.81 LMNA (0.39) NFE2L2ALDH1A1LMNAL3MBTL1USP2
SCHEMBL5676565 0.81 HPGD (0.53) NFE2L2ALDH1A1LMNAL3MBTL1GRIN2D
SCHEMBL2774494 0.81 MAPT (0.55) ALDH1A1LMNAL3MBTL1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845486-B Triazole alcohol derivative and preparation method and application thereof 中国人民解放军第二军医大学 2023-03-21 CN disclosed
CN-110845486-A Triazole alcohol derivative and preparation method and application thereof 中国人民解放军第二军医大学 2020-02-28 CN disclosed
CN-106336383-B A kind of trinitrogenazole alcohol analog derivative and its preparation method and application 中国人民解放军第二军医大学 2019-05-14 CN disclosed
CN-106336383-A Triazole alcohol derivative and preparation method and application thereof 中国人民解放军第二军医大学 2017-01-18 CN disclosed
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 EP disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-8877782-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8846719-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-09-30 US disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 US disclosed
WO-2006064484-A1 AZABICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-22 WO disclosed
US-6887905-B2 Treatment of depression or generalized anxiety disorder PFIZER INC (US) 2005-05-03 US disclosed
US-20030181458-A1 Azabicyclic 5HT1 receptor ligands PFIZER INC. 2003-09-25 US disclosed
EP-1070065-B1 AZABICYCLIC 5HT1 RECEPTOR LIGANDS PFIZER PROD INC (US) 2003-09-03 EP disclosed
CN-1117092-C Azabicyclo compounds, pharmaceutical compositions and medical uses thereof PFIZER PROD INC (US) 2003-08-06 CN disclosed
US-6525048-B1 Aminomethylphenoxymethyl/benzisoxazole substituted azabicyclic compounds; depression, generalized anxiety disorder, obesity, migraine; 2-(5-Fluoro-benzo(d)isoxazol-3-y)-7-(3-morpholin-4-ylmethylphenoxymethyl) -octahydro-pyrido(1,2-a)pyrazine; PFIZER INC. 2003-02-25 US disclosed
CN-1305477-A Azablicyclic 5-HT, receptor ligands PFIZER PROD INC (US) 2001-07-25 CN disclosed
EP-1070065-A1 AZABICYCLIC 5HT1 RECEPTOR LIGANDS Pfizer Products Inc. (US) 2001-01-24 EP disclosed
WO-1999052907-A1 AZABICYCLIC 5HT1 RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 1999-10-21 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-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 NFE2L2 2986/4885ALDH1A1 938/4885LMNA 3918/4885
US-20030181458-A1 Azabicyclic 5HT1 receptor ligands HTR1A, HTR1B, HTR1D NFE2L2 4188/4885ALDH1A1 285/4885LMNA 3917/4885

“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.