SCHEMBL23409749

SCHEMBL23409749

CC1(CN2C(=O)c3ccccc3C2=O)NC(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ ADAM17 P78536 7/20 0.47
▸ ITGA4 P13612 1/20 0.41
▸ MMP2 P08253 2/20 0.40
▸ ADAMTS5 Q9UNA0 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ ADAM9 Q13443 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ GLS O94925 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL29788338 1.00 ALDH1A1 (0.48) ALDH1A1ADAM17ITGA4MMP2ADAMTS5
SCHEMBL13921895 0.77 ADAM17 (0.67) ADAM17
SCHEMBL14928448 0.70 CYP1A2 (0.46) ALDH1A1LMNACA12CA9GLS
SCHEMBL7097777 0.69 ALDH1A1 (0.60) ALDH1A1ADAM17MMP2ADAMTS5MMP9
SCHEMBL15972776 0.69 ALDH1A1 (0.60) ALDH1A1ADAM17MMP2ADAMTS5MMP9
SCHEMBL17983304 0.69 ALDH1A1 (0.44) ALDH1A1CA12CA9GLSCYP1A2
SCHEMBL5591074 0.68 ALDH1A1 (0.47) ALDH1A1LMNACA12CA9GLS
SCHEMBL3289588 0.68 ALDH1A1 (0.47) ALDH1A1LMNACA12CA9GLS
SCHEMBL17789326 0.68 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNACA12CA9
SCHEMBL17169696 0.67 MMP2 (0.46) ALDH1A1ITGA4MMP2MMP3MMP9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022249006-A1 USE OF 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NOVARTIS AG (CH) 2022-12-01 — — WO disclosed
US-20220340573-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-10-27 — — US disclosed
EP-4065228-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS Novartis AG (CH) 2022-10-05 — — EP disclosed
US-11427586-B2 1,2,4-oxadiazole derivatives as liver X receptor agonists NOVARTIS AG (CH) 2022-08-30 — — US disclosed
CN-114746149-A 1,2, 4-oxadiazole derivatives as liver X receptor agonists 诺华股份有限公司 2022-07-12 — — CN disclosed
US-20220064164-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-03-03 — — US disclosed
WO-2021105857-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NOVARTIS AG (CH) 2021-06-03 — — 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 (3 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-20220064164-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NR1H4, GPBAR1, NR1I2 ALDH1A1 368/4885ADAM17 3723/4885ITGA4 2274/4885
US-11427586-B2 1,2,4-oxadiazole derivatives as liver X receptor agonists NR1H4, GPBAR1, NR1I2 ALDH1A1 368/4885ADAM17 3723/4885ITGA4 2274/4885
US-20220340573-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NR1H4, GPBAR1, NR1I2 ALDH1A1 368/4885ADAM17 3723/4885ITGA4 2274/4885

“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.

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