Sugi Predict

Sugi Predict / Compounds / SCHEMBL2472098

SCHEMBL2472098

SCHEMBL2472098

O/N=C/c1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ PLA2G7 Q13093 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NPC1 O15118 6/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ NFE2L2 Q16236 2/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MAPT P10636 5/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ PLEC Q15149 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ ACHE P22303 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42

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
SCHEMBL2474936 1.00 ALDH1A1 (0.50) ALDH1A1PLA2G7L3MBTL1KDM4ENPC1
SCHEMBL2472101 1.00 ALDH1A1 (0.50) ALDH1A1PLA2G7L3MBTL1KDM4ENPC1
Hydrochloric Acid SCHEMBL28115143 0.98 PLA2G7 (0.49) ALDH1A1PLA2G7L3MBTL1KDM4ENPC1
SCHEMBL17329458 0.83 L3MBTL1 (0.52) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL17329459 0.83 L3MBTL1 (0.52) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL5652720 0.81 ALDH1A1 (0.46) ALDH1A1PLA2G7L3MBTL1KDM4ENPC1
SCHEMBL737915 0.81 KDM4E (0.46) ALDH1A1L3MBTL1KDM4ENPC1NFE2L2
SCHEMBL22613822 0.81 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1KDM4ENPC1TRPA1
SCHEMBL22613823 0.81 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1KDM4ENPC1TRPA1
SCHEMBL2165060 0.81 GABRA1 (0.51) ALDH1A1L3MBTL1KDM4ENPC1NFE2L2

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 26 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-114230547-A Synthesis method of substituted benzaldehyde acetal 江苏广域化学有限公司 2022-03-25 — — 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-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 — — EP disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 — — US disclosed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 — — EP disclosed
US-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2007-12-06 — — US disclosed
US-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2007-12-06 — — US disclosed
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 — — US disclosed
US-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance ABBOTT LABORATORIES 2006-07-27 — — US disclosed
US-6949574-B2 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 — — US disclosed
US-20050131032-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2005-06-16 — — US disclosed
CN-1556797-A Substituted isoxazole compounds and their use as antibiotics S.A.L.V.A.T.ʵ�������޹�˾ 2004-12-22 — — CN disclosed
EP-1472215-A2 (OXIME)CARBAMOYL FATTY ACID AMIDE HYDROLASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-11-03 — — EP disclosed
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2003-10-16 — — US disclosed
WO-2003065989-A2 (OXIME)CARBAMOYL FATTY ACID AMIDE HYDROLASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-14 — — WO disclosed
EP-1328534-A2 6-O-SUBSTITUTED ERYTHROMYCIN DERIVATIVES HAVING IMPROVED GASTROINTESTINAL TOLERANCE Abbott Laboratories (US) 2003-07-23 — — EP disclosed
WO-2002032919-A2 6-O-SUBSTITUTED ERYTHROMYCIN DERIVATIVES HAVING IMPROVED GASTROINTESTINAL TOLERANCE ABBOTT LABORATORIES (US) 2002-04-25 — — 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 (5 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-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance CYP2D6, CYP2B6, UGT1A6 ALDH1A1 2424/4885PLA2G7 3654/4885L3MBTL1 1005/4885
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors APP, BACE1, BACE2 ALDH1A1 2529/4885PLA2G7 160/4885L3MBTL1 2065/4885
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors FAAH, FAAH2, NCEH1 ALDH1A1 394/4885PLA2G7 175/4885L3MBTL1 2799/4885
US-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents CYP2S1, CYP3A7, CYP3A5 ALDH1A1 3087/4885PLA2G7 3036/4885L3MBTL1 3532/4885
US-20050131032-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors FAAH, FAAH2, NCEH1 ALDH1A1 394/4885PLA2G7 175/4885L3MBTL1 2799/4885

“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.