SCHEMBL326964

SCHEMBL326964

O=C(c1ccc(SC2CNC2)cc1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.56
ALDH1A1 P00352 5/20 0.56
L3MBTL3 Q96JM7 7/20 0.49
L3MBTL1 Q9Y468 6/20 0.49
MAPK1 P28482 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MBTD1 Q05BQ5 4/20 0.46
MLYCD O95822 1/20 0.46
TP53BP1 Q12888 1/20 0.46
L3MBTL4 Q8NA19 1/20 0.46
MAOA P21397 1/20 0.46
TSHR P16473 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL321919 0.81 HPGD (0.54) HPGDALDH1A1L3MBTL3L3MBTL1MAPK1
SCHEMBL2743918 0.79 HPGD (0.53) HPGDALDH1A1L3MBTL3L3MBTL1MEN1
SCHEMBL3583338 0.77 HPGD (0.73) HPGDALDH1A1L3MBTL3L3MBTL1MAPK1
SCHEMBL3300855 0.77 HPGD (0.73) HPGDALDH1A1L3MBTL3L3MBTL1MAPK1
SCHEMBL10721733 0.76 HPGD (0.95) HPGDALDH1A1L3MBTL3L3MBTL1MAPK1
SCHEMBL10190197 0.74 KMT2A (0.58) HPGDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27479149 0.74 HPGD (1.00) HPGDALDH1A1L3MBTL3L3MBTL1MAPK1
SCHEMBL7132525 0.74 HPGD (1.00) HPGDALDH1A1L3MBTL3L3MBTL1MAPK1
SCHEMBL8358137 0.70 SIGMAR1 (0.81) HPGDALDH1A1L3MBTL3L3MBTL1SIGMAR1
SCHEMBL2646073 0.69 HPGD (0.79) HPGDALDH1A1L3MBTL3L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2590969-A2 THERAPEUTIC AGENTS 976 AstraZeneca AB (SE) 2013-05-15 EP 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

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 HPGD 142/4885ALDH1A1 338/4885L3MBTL3 4697/4885

“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.