SCHEMBL6069033

SCHEMBL6069033

COc1cc(CS(=O)(=O)N2CCCC2c2nnc(-c3ccc(Cl)cc3)o2)c(OC)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
TP53 P04637 1/20 0.42
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
ALDH1A1 P00352 3/20 0.39
ALOX15B O15296 1/20 0.39
HSD11B1 P28845 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3367261 0.83 SMN1; SMN2 (0.41) MAPTTP53HCRTR1HCRTR2ALDH1A1
SCHEMBL3366848 0.81 ALDH1A1 (0.48) MAPTALDH1A1ALOX15BHSD11B1POLB
SCHEMBL3370219 0.77 KDM4E (0.49) MAPTALDH1A1ALOX15BHSD11B1POLB
SCHEMBL3370504 0.76 CYP2C19 (0.43) MAPTALDH1A1ALOX15BHSD11B1POLB
SCHEMBL3366667 0.75 KDM4E (0.43) MAPTHCRTR1HCRTR2ALDH1A1POLB
SCHEMBL3366814 0.75 KDM4E (0.41) MAPTALDH1A1ALOX15BHSD11B1POLB
SCHEMBL3370139 0.73 USP30 (0.43) MAPTTP53HCRTR1HCRTR2ALDH1A1
SCHEMBL3366078 0.72 HCRTR1 (0.46) MAPTTP53HCRTR1HCRTR2ALDH1A1
SCHEMBL3369449 0.71 ALDH1A1 (0.46) MAPTALDH1A1HSD11B1POLBSMN1; SMN2
SCHEMBL3368231 0.70 HCRTR1 (0.48) MAPTHCRTR1HCRTR2ALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1363/4885TP53 4832/4885HCRTR1 461/4885

“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.