SCHEMBL3366618

SCHEMBL3366618

Cc1cc(C)c(CS(=O)(=O)N2CCCC2c2nnc(-c3cccs3)o2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.41
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 3/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 7/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 3/20 0.40
ALOX15 P16050 2/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 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
SCHEMBL3370780 0.84 CYP2C19 (0.41) SMN1; SMN2RAB9AALDH1A1KDM4EMEN1
SCHEMBL3367278 0.82 MAPT (0.43) RAB9ANPC1TP53MAPT
SCHEMBL3367326 0.80 KDM4E (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL3367323 0.79 MAPK1 (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL3367330 0.78 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL3367004 0.75 CYP2C19 (0.41) SMN1; SMN2RAB9AALDH1A1KDM4EMEN1
SCHEMBL3368231 0.70 HCRTR1 (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL3366703 0.70 NPC1 (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL3364221 0.70 ALDH1A1 (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL3369463 0.69 ALDH1A1 (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD

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 SMN1; SMN2 1832/4885RAB9A 3699/4885NPC1 4103/4885

“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.