SCHEMBL3370281

SCHEMBL3370281

O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC2c2nnc(-c3ccncc3)o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.39
PTGS2 P35354 3/20 0.39
EGFR P00533 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
AURKA O14965 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL3370504 0.87 CYP2C19 (0.43) MAPTALDH1A1MAPK1CYP2C19KDM4E
SCHEMBL3367339 0.87 CYP2C19 (0.43) MAPTALDH1A1CYP2C19MEN1KMT2A
SCHEMBL3368142 0.86 CYP2C19 (0.44) ALDH1A1MAPK1CYP2C19KDM4ENPC1
SCHEMBL3366078 0.84 HCRTR1 (0.46) MAPTALDH1A1CYP2C19KMT2AUSP2
SCHEMBL3370356 0.81 ALDH1A1 (0.51) MAPTALDH1A1MAPK1CYP2C19MEN1
SCHEMBL3366848 0.80 ALDH1A1 (0.48) MAPTALDH1A1CYP2C19KDM4ERAB9A
SCHEMBL3368542 0.78 GPR142 (0.48) ALDH1A1CYP2C19KDM4EHTTBCHE
SCHEMBL3370780 0.77 CYP2C19 (0.41) MAPTALDH1A1CYP2C19MEN1KMT2A
SCHEMBL3367004 0.77 CYP2C19 (0.41) MAPTALDH1A1CYP2C19MEN1KMT2A
SCHEMBL3366253 0.77 CYP2C19 (0.44) MAPTALDH1A1CYP2C19MEN1KMT2A

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 3 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 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 MAPT 1363/4885ALDH1A1 510/4885MAPK1 2380/4885

“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.