SCHEMBL3366848

SCHEMBL3366848

O=S(=O)(Cc1ccc(Cl)cc1)N1CCCC1c1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ALOX15B O15296 1/20 0.48
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
HSD11B1 P28845 1/20 0.43
LMNA P02545 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
RAB9A P51151 1/20 0.40
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
SCHEMBL3370219 0.95 KDM4E (0.49) ALDH1A1ALOX15BKDM4EHPGDMAPT
SCHEMBL3370504 0.94 CYP2C19 (0.43) ALDH1A1ALOX15BKDM4EHPGDMAPT
SCHEMBL3366814 0.90 KDM4E (0.41) ALDH1A1ALOX15BKDM4EHPGDMAPT
SCHEMBL3370139 0.84 USP30 (0.43) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL3367261 0.83 SMN1; SMN2 (0.41) ALDH1A1ALOX15BKDM4EHPGDMAPT
SCHEMBL3367339 0.83 CYP2C19 (0.43) ALDH1A1KDM4EMAPTCYP2C19SMN1; SMN2
SCHEMBL3368142 0.83 CYP2C19 (0.44) ALDH1A1KDM4EHPGDCYP2C19POLB
SCHEMBL6069033 0.81 MAPT (0.42) ALDH1A1ALOX15BMAPTSMN1; SMN2POLB
SCHEMBL3366078 0.81 HCRTR1 (0.46) ALDH1A1KDM4EMAPTCYP2C19POLB
SCHEMBL3370281 0.80 MAPT (0.44) ALDH1A1KDM4EMAPTCYP2C19SMN1; SMN2

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 510/4885ALOX15B 1392/4885KDM4E 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.