SCHEMBL3012563

SCHEMBL3012563

COc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
GALR3 O60755 1/20 0.51
NR2F2 P24468 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
VCAM1 P19320 3/20 0.48
HSD11B1 P28845 1/20 0.47
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL3650615 0.93 RAB9A (0.46) RAB9AGALR3NR2F2SMN1; SMN2LMNA
SCHEMBL3017535 0.92 VCAM1 (0.48) RAB9AGALR3NR2F2SMN1; SMN2LMNA
SCHEMBL3010081 0.90 VCAM1 (0.49) SMN1; SMN2LMNAALDH1A1GAAVCAM1
SCHEMBL3016611 0.90 TSHR (0.47) SMN1; SMN2LMNAALDH1A1HSD11B1L3MBTL1
SCHEMBL3007276 0.89 VCAM1 (0.51) SMN1; SMN2LMNAALDH1A1GAAVCAM1
SCHEMBL3013884 0.89 TSHR (0.53) SMN1; SMN2LMNAALDH1A1HSD11B1MAPK1
SCHEMBL3016965 0.88 VCAM1 (0.49) RAB9AGALR3NR2F2SMN1; SMN2LMNA
SCHEMBL3011920 0.88 KMT2A (0.47) RAB9AGALR3NR2F2SMN1; SMN2LMNA
SCHEMBL3014012 0.88 TSHR (0.49) SMN1; SMN2LMNAALDH1A1HSD11B1L3MBTL1
SCHEMBL3014231 0.88 RAB9A (0.40) RAB9AGALR3NR2F2SMN1; SMN2LMNA

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-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA RAB9A 2943/4885GALR3 2906/4885NR2F2 2510/4885

“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.