SCHEMBL3369449

SCHEMBL3369449

O=S(=O)(Cc1ccccc1Cl)N1CCCC1c1nnc(-c2cccnc2)o1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 2/20 0.39
DPP4 P27487 1/20 0.39
POLB P06746 1/20 0.39
USP30 Q70CQ3 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL6069077 0.88 ALDH1A1 (0.44) ALDH1A1MAPK1NPSR1DPP4USP30
SCHEMBL3364395 0.87 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AMAPK1NPSR1
SCHEMBL3369442 0.84 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AMAPK1NPSR1
SCHEMBL3364389 0.83 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AMAPK1NPSR1
SCHEMBL3366667 0.81 KDM4E (0.43) ALDH1A1NPC1RAB9AMAPK1NPSR1
SCHEMBL3366706 0.78 ALDH1A1 (0.42) ALDH1A1NPC1MAPK1NPSR1MAPT
SCHEMBL3368142 0.76 CYP2C19 (0.44) ALDH1A1NPC1RAB9AMAPK1KDM4E
SCHEMBL3370219 0.76 KDM4E (0.49) ALDH1A1MAPTKDM4EDPP4POLB
SCHEMBL3367393 0.76 MAPT (0.51) ALDH1A1NPC1RAB9AMAPK1NPSR1
SCHEMBL3370504 0.74 CYP2C19 (0.43) ALDH1A1MAPK1MAPTKDM4EPOLB

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 510/4885NPC1 4103/4885RAB9A 3699/4885

“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.