SCHEMBL3366832

SCHEMBL3366832

O=S(=O)(c1cc(Cl)c(Cl)s1)N1CCCC1c1nnc(-c2ccncc2)o1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 3/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 6/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
USP30 Q70CQ3 1/20 0.36
EPHX2 P34913 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL3369526 0.86 MMP8 (0.48) CYP2C19SMN1; SMN2KDM4EHTTLMNA
SCHEMBL3368092 0.75 CYP2C19 (0.48) CYP2C19SMN1; SMN2KDM4EHTTLMNA
SCHEMBL3370504 0.74 CYP2C19 (0.43) CYP2C19SMN1; SMN2KDM4EHTTLMNA
SCHEMBL3368142 0.72 CYP2C19 (0.44) CYP2C19KDM4EHTTALDH1A1POLB
SCHEMBL3366253 0.72 CYP2C19 (0.44) CYP2C19SMN1; SMN2KDM4EHTTLMNA
SCHEMBL3367004 0.71 CYP2C19 (0.41) CYP2C19SMN1; SMN2KDM4EHTTLMNA
SCHEMBL3370780 0.71 CYP2C19 (0.41) CYP2C19SMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL3367339 0.71 CYP2C19 (0.43) CYP2C19SMN1; SMN2KDM4EHTTLMNA
SCHEMBL3366078 0.69 HCRTR1 (0.46) CYP2C19KDM4ELMNAUSP2ALDH1A1
SCHEMBL3368542 0.69 GPR142 (0.48) CYP2C19KDM4EHTTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532141-B1 2-PYRROLIDIN-2-YL- [1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS GRUENENTHAL GMBH (DE) 2010-10-13 EP claimed
US-7105538-B2 2-pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2006-09-12 US claimed
US-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2005-08-25 US claimed
EP-1532141-A1 2-PYRROLIDIN-2-YL- 1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS Grünenthal GmbH (DE) 2005-05-25 EP claimed
WO-2004024725-A1 2-PYRROLIDIN-2-YL-[1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS Grünenthal GmbH (DE) 2004-03-25 WO claimed
EP-1532141-B1 2-PYRROLIDIN-2-YL- [1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS GRUENENTHAL GMBH (DE) 2010-10-13 EP disclosed
US-7105538-B2 2-pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2006-09-12 US disclosed
US-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2005-08-25 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-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants OPRD1, OPRK1, GRIN2C CYP2C19 147/4885SMN1; SMN2 1832/4885KDM4E 1219/4885

“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.