SCHEMBL3008958

SCHEMBL3008958

O=[N+]([O-])c1ccc(S(=O)(=O)C2CCN(c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.53
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 2/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
KDM1A O60341 2/20 0.39
NPBWR1 P48145 1/20 0.39
MAOA P21397 1/20 0.38
EGFR P00533 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3017157 0.91 AR (0.60) ARMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL3003284 0.91 AR (0.50) ARMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL3002625 0.88 AR (0.56) ARMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL3002708 0.88 AR (0.56) ARMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL3018834 0.88 AR (0.56) ARMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL3021277 0.87 AR (0.60) ARMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL3020027 0.87 MAPT (0.69) ARMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL3007916 0.87 SMN1; SMN2 (0.58) ARMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL3016907 0.87 AR (0.57) ARMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL3014452 0.86 AR (0.54) ARMAPTSMN1; SMN2RAB9ANPC1

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-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 AR 3801/4885MAPT 18/4885SMN1; SMN2 1/4885

“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.