SCHEMBL4263085

SCHEMBL4263085

CCOC(=O)c1cc(C#N)cc2ccsc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 9/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 7/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4257583 0.79 SLC22A12 (0.64) XDHSLC22A12HTT
SCHEMBL7669452 0.77 TSHR (0.47) MAPTSMN1; SMN2TSHRKDM4EHSD17B10
SCHEMBL18509048 0.76 KDM4E (0.43) MAPTSMN1; SMN2TSHRLMNAKDM4E
SCHEMBL1476081 0.75 TSHR (0.56) MAPTSMN1; SMN2TSHRLMNAKDM4E
SCHEMBL6883767 0.74 TSHR (0.55) MAPTSMN1; SMN2TSHRKDM4EHSD17B10
SCHEMBL12585069 0.74 XDH (0.46) XDHSLC22A12MAPTSMN1; SMN2TSHR
SCHEMBL7671281 0.74 CA12 (0.51) MAPTSMN1; SMN2TSHRKDM4EHSD17B10
SCHEMBL27739264 0.72 TSHR (0.45) MAPTSMN1; SMN2TSHRLMNAKDM4E
SCHEMBL7671086 0.72 MAOB (0.53) MAPTSMN1; SMN2TSHRLMNAKDM4E
SCHEMBL15639611 0.71 ALDH1A1 (0.55) MAPTSMN1; SMN2TSHRLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636221-B1 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists ALBIREO AB (SE) 2009-08-12 EP disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 US disclosed
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 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-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 XDH 604/4885SLC22A12 2207/4885MAPT 4825/4885

“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.