SCHEMBL3010971

SCHEMBL3010971

COc1ccc(Br)cc1S(=O)(=O)C1CCN(c2nc(-c3cc(C)ccc3C)cs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 3/20 0.39
ALOX15 P16050 1/20 0.39
GUCY1B2 O75343 5/20 0.37
GUCY1A2 P33402 5/20 0.37
GUCY1A1 Q02108 5/20 0.37
GUCY1B1 Q02153 5/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.36
REV1 Q9UBZ9 1/20 0.36

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
SCHEMBL3014461 0.90 AR (0.52) ARRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3013290 0.90 AR (0.51) ARRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3019682 0.89 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL3021480 0.88 SMN1; SMN2 (0.41) ARRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3016088 0.87 AR (0.40) ARRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3010712 0.87 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL3010963 0.87 AR (0.46) ARRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3020871 0.87 SMN1; SMN2 (0.46) ARRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3017344 0.86 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL3020819 0.86 SMN1; SMN2 (0.43) ARRAB9ASMN1; SMN2NPC1MAPT

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 3801/4885RAB9A 2943/4885SMN1; 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.