SCHEMBL4227282

SCHEMBL4227282

NC(=NO)[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
GLA P06280 1/20 0.54
HSD11B1 P28845 1/20 0.50
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PDE2A O00408 1/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4615254 1.00 HSD17B10 (0.54) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL3578457 0.88 GLA (0.70) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL3578454 0.88 GLA (0.70) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL1969349 0.86 GLA (0.57) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL4615244 0.86 GLA (0.57) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL5031105 0.84 HSD11B1 (0.55) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL5033309 0.81 GLA (0.49) HSD17B10GLAALDH1A1MEN1KMT2A
SCHEMBL1970300 0.81 GLA (0.49) HSD17B10GLAALDH1A1MEN1KMT2A
SCHEMBL4227278 0.79 HSD11B1 (0.50) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL3390856 0.78 KMT2A (0.55) HSD17B10HSD11B1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NIKEM RESEARCH SRL (IT) 2009-08-27 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-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM3, GRM2 HSD17B10 3397/4885GLA 4677/4885HSD11B1 3080/4885

“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.