SCHEMBL321645

SCHEMBL321645

CN(C)Cc1ccc(O)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
THRB P10828 1/20 0.54
G6PD P11413 1/20 0.54
PABPC1 P11940 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALOX15 P16050 3/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TYR P14679 4/20 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
Bromide SCHEMBL5350662 0.84 ALDH1A1 (0.54) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL6856773 0.79 RIPK1 (0.53) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL3453927 0.78 SLC6A4 (0.54) MEN1MAPTKMT2ATDP1ALOX15
SCHEMBL1395531 0.78 ALDH1A1 (0.50) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL12074780 0.78 SLC6A4 (0.49) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL310196 0.77 CHRNA7 (0.50) MEN1MAPTKMT2ATDP1ALOX15
SCHEMBL11792241 0.77 ALDH1A1 (0.67) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL29088438 0.77 ALDH1A1 (0.54) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL21419342 0.76 PYCR1 (0.63) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL19445318 0.76 SLC6A4 (0.58) ALDH1A1MEN1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103209979-B therapeutic agent 976 ASTRAZENECA AB (SE) 2016-02-10 CN disclosed
EP-2590969-B1 Therapeutic agents 976 ASTRAZENECA AB (SE) 2014-10-15 EP disclosed
EP-2590969-B1 Therapeutic agents 976 ASTRAZENECA AB (SE) 2014-10-15 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
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
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-2640725-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS Incyte Corporation (US) 2013-09-25 EP disclosed
CN-103209979-A Therapeutic agent 976 ASTRAZENECA AB 2013-07-17 CN disclosed
EP-2590969-A2 THERAPEUTIC AGENTS 976 AstraZeneca AB (SE) 2013-05-15 EP disclosed
WO-2012068440-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-05-24 WO disclosed
WO-2012004588-A2 THERAPEUTIC AGENTS 976 ASTRAZENECA AB (SE) 2012-01-12 WO 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
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
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

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 ALDH1A1 338/4885MEN1 101/4885MAPT 1146/4885

“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.