SCHEMBL3369442

SCHEMBL3369442

O=S(=O)(Cc1cccc(Cl)c1)N1CCCC1c1nnc(-c2cccnc2)o1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP30 Q70CQ3 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FKBP1A P62942 1/20 0.39

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
SCHEMBL3364395 0.89 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1HTTNPSR1
SCHEMBL3369449 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MAPK1TSHR
SCHEMBL3366706 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPK1HTTNPSR1
SCHEMBL3364389 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPK1GAANPSR1
SCHEMBL6069077 0.79 ALDH1A1 (0.44) ALDH1A1MAPK1GAAHTTHCRTR1
SCHEMBL3370504 0.79 CYP2C19 (0.43) ALDH1A1KDM4ESMN1; SMN2MAPK1HTT
SCHEMBL3368142 0.78 CYP2C19 (0.44) ALDH1A1KDM4EMAPK1HTTHCRTR1
SCHEMBL3366848 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2POLBMAPT
SCHEMBL3370219 0.78 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2POLBMAPT
SCHEMBL3368542 0.78 GPR142 (0.48) ALDH1A1KDM4EHTTHCRTR1HCRTR2

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 ALDH1A1 510/4885KDM4E 1219/4885SMN1; SMN2 1832/4885

“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.