SCHEMBL163935

SCHEMBL163935

CCOC(=O)c1nnc(-c2ccc(OC)cc2)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
TARBP2 Q15633 2/20 0.64
PDCD4 Q53EL6 1/20 0.64
MAPT P10636 4/20 0.62
POLB P06746 3/20 0.61
HTT P42858 1/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
KMT2A Q03164 2/20 0.56
HSD17B10 Q99714 3/20 0.54
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.52
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL11485622 0.90 CA1 (0.67) CA1CA2TARBP2PDCD4MAPT
SCHEMBL326764 0.88 CA1 (0.71) CA1CA2TARBP2PDCD4MAPT
SCHEMBL28501879 0.86 CA1 (0.68) CA1CA2TARBP2PDCD4MAPT
SCHEMBL31049616 0.86 CA1 (0.68) CA1CA2TARBP2PDCD4MAPT
SCHEMBL165878 0.86 POLB (0.76) CA1CA2TARBP2MAPTPOLB
SCHEMBL7865590 0.86 CA1 (0.72) CA1CA2TARBP2PDCD4MAPT
SCHEMBL167291 0.86 CA1 (0.68) CA1CA2TARBP2PDCD4MAPT
SCHEMBL164405 0.85 CA1 (0.61) CA1CA2TARBP2PDCD4MAPT
SCHEMBL114885 0.85 CA1 (0.67) CA1CA2TARBP2MAPTPOLB
SCHEMBL30949366 0.84 POLB (0.74) CA1CA2TARBP2MAPTPOLB

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
EP-2424870-B1 Therapeutic agents 713 ASTRAZENECA AB (SE) 2015-12-16 EP disclosed
EP-2590969-B1 Therapeutic agents 976 ASTRAZENECA AB (SE) 2014-10-15 EP disclosed
EP-2731950-A1 AZETIDINE DERIVATIVES FOR TREATMENT OF MELANIN RELATED DISORDERS AstraZeneca AB (SE) 2014-05-21 EP disclosed
US-8546375-B2 (3-(4-(aminomethyl)phenoxy or phenylthio)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone compounds ASTRAZENECA AB (SE) 2013-10-01 US disclosed
EP-2590969-A2 THERAPEUTIC AGENTS 976 AstraZeneca AB (SE) 2013-05-15 EP disclosed
WO-2013011285-A1 AZETIDINE DERIVATIVES FOR TREATMENT OF MELANIN RELATED DISORDERS ASTRAZENECA AB (SE) 2013-01-24 WO disclosed
EP-2424870-A1 THERAPEUTIC AGENTS 713 AstraZeneca AB (SE) 2012-03-07 EP disclosed
WO-2012004588-A2 THERAPEUTIC AGENTS 976 ASTRAZENECA AB (SE) 2012-01-12 WO disclosed
US-20120010189-A1 (3-(4-(AMINOMETHYL)PHENOXY OR PHENYLTHIO)AZETIDIN-1-YL)(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHANONE COMPOUNDS ASTRAZENECA AB (SE) 2012-01-12 US disclosed
WO-2010125390-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 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 (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-20120010189-A1 (3-(4-(AMINOMETHYL)PHENOXY OR PHENYLTHIO)AZETIDIN-1-YL)(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHANONE COMPOUNDS TYR, MC2R, MC1R CA1 4828/4885CA2 4291/4885TARBP2 4869/4885

“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.