SCHEMBL10044249

SCHEMBL10044249

CC(O)(c1ccccn1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
AHR P35869 2/20 0.47
HSD11B1 P28845 11/20 0.46
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
NR1H3 Q13133 1/20 0.40
CHRM2 P08172 1/20 0.37

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
SCHEMBL21742008 0.88 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1AHRHSD11B1CHRM2
SCHEMBL4388586 0.87 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2
SCHEMBL11681741 0.80 L3MBTL1 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2
SCHEMBL6071170 0.79 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1AHRNR1H3
SCHEMBL21742080 0.79 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRABCC9ABCC8
SCHEMBL30020222 0.79 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRABCC9ABCC8
SCHEMBL3718198 0.79 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRABCC9ABCC8
SCHEMBL13237137 0.79 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRCHRM2
SCHEMBL6921056 0.79 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2
SCHEMBL946635 0.79 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3572413-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE1 INHIBITOR SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-11-03 EP disclosed
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-8119819-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-02-21 US disclosed
US-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-21 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 (1 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-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA SMN1; SMN2 2783/4885L3MBTL1 1362/4885AHR 2655/4885

“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.