SCHEMBL12374401

SCHEMBL12374401

CC1(COCc2ccccc2)NC(=O)NC1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.74
MMP2 P08253 5/20 0.50
MMP9 P14780 2/20 0.50
MMP3 P08254 1/20 0.50
ADAM17 P78536 4/20 0.47
MMP13 P45452 3/20 0.47
ADAMTS5 Q9UNA0 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MMP14 P50281 1/20 0.44
TSHR P16473 1/20 0.42
TACR1 P25103 1/20 0.40
CACNA1F O60840 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL6794277 0.81 ALDH1A1 (0.51) ALDH1A1MMP2MMP9MMP3ADAM17
SCHEMBL9047819 0.81 ALDH1A1 (0.56) ALDH1A1MMP2MMP9MMP3ADAM17
SCHEMBL7097777 0.78 ALDH1A1 (0.60) ALDH1A1MMP2MMP9ADAM17MMP13
SCHEMBL15972776 0.78 ALDH1A1 (0.60) ALDH1A1MMP2MMP9ADAM17MMP13
SCHEMBL1108471 0.78 ALDH1A1 (0.52) ALDH1A1MMP2MMP9MMP3ADAM17
SCHEMBL31721438 0.77 ALDH1A1 (0.53) ALDH1A1MMP2MMP9MMP3ADAM17
SCHEMBL17884976 0.77 ADAMTS5 (0.62) ALDH1A1MMP2ADAM17MMP13ADAMTS5
SCHEMBL12084968 0.77 ALDH1A1 (0.59) ALDH1A1MMP2MMP9ADAM17MMP13
SCHEMBL12084969 0.77 ALDH1A1 (0.59) ALDH1A1MMP2MMP9ADAM17MMP13
SCHEMBL9584263 0.76 SMN1; SMN2 (0.68) ALDH1A1MMP2MMP9ADAM17MMP13

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 10 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
US-7989649-B2 Tumor imaging compounds EMORY UNIVERSITY (US) 2011-08-02 US disclosed
US-20090240041-A1 TUMOR IMAGING COMPOUNDS EMORY UNIVERSITY (US) 2009-09-24 US disclosed
US-7544715-B2 Tumor imaging compounds EMORY UNIVERSITY (US) 2009-06-09 US 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 (4 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 368/4885MMP2 3336/4885MMP9 3561/4885
US-20090240041-A1 TUMOR IMAGING COMPOUNDS AADAT, MKI67, SSTR1 ALDH1A1 2290/4885MMP2 2917/4885MMP9 4220/4885
US-11427586-B2 1,2,4-oxadiazole derivatives as liver X receptor agonists NR1H4, GPBAR1, NR1I2 ALDH1A1 368/4885MMP2 3336/4885MMP9 3561/4885
US-20220340573-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NR1H4, GPBAR1, NR1I2 ALDH1A1 368/4885MMP2 3336/4885MMP9 3561/4885

“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.