SCHEMBL3016440

SCHEMBL3016440

COc1ccc(OC)c(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.46
HSD11B1 P28845 1/20 0.46
MAPT P10636 3/20 0.44
USP2 O75604 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
RAB9A P51151 1/20 0.41

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 0.95 RAB9A (0.46) VCAM1HSD11B1MAPTUSP2RECQL
SCHEMBL3017953 0.94 VCAM1 (0.46) VCAM1HSD11B1MAPTUSP2RECQL
SCHEMBL3003540 0.90 HSD11B1 (0.49) VCAM1HSD11B1MAPTUSP2RECQL
SCHEMBL3009159 0.90 MAPT (0.47) MAPTUSP2RECQLHSD17B10SMN1; SMN2
SCHEMBL3014224 0.89 MAPT (0.48) HSD11B1MAPTUSP2RECQLHSD17B10
SCHEMBL3010081 0.89 VCAM1 (0.49) VCAM1HSD11B1MAPTUSP2RECQL
SCHEMBL3015117 0.88 VCAM1 (0.36) VCAM1HSD11B1MAPTUSP2RECQL
SCHEMBL3017730 0.88 MAPT (0.51) MAPTUSP2RECQLHSD17B10SMN1; SMN2
SCHEMBL3008856 0.87 TSHR (0.50) HSD11B1MAPTUSP2RECQLHSD17B10
SCHEMBL3010375 0.87 ALDH1A1 (0.50) HSD11B1MAPTUSP2RECQLHSD17B10

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 VCAM1 3154/4885HSD11B1 1034/4885MAPT 18/4885

“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.