SCHEMBL3018960

SCHEMBL3018960

COc1ccccc1-c1csc(N2CCC(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
AR P10275 1/20 0.44
KDM1A O60341 1/20 0.41
KMO O15229 1/20 0.41
MAPT P10636 5/20 0.41
RAB9A P51151 3/20 0.41
RECQL P46063 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HTR6 P50406 1/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
EIF4E P06730 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3019544 0.91 NPC1 (0.46) SMN1; SMN2ARMAPTRAB9ARECQL
SCHEMBL3004358 0.91 REV1 (0.48) SMN1; SMN2ARKMOMAPTRAB9A
SCHEMBL2998804 0.91 AR (0.44) SMN1; SMN2ARKMOMAPTRAB9A
SCHEMBL3010359 0.89 SMN1; SMN2 (0.46) SMN1; SMN2ARMAPTRAB9AMEN1
SCHEMBL3013276 0.87 ALDH1A1 (0.50) SMN1; SMN2KDM1AKMOMAPTRAB9A
SCHEMBL3005216 0.87 KMO (0.52) SMN1; SMN2KMOMAPTRAB9ARECQL
SCHEMBL3004385 0.87 AR (0.48) SMN1; SMN2ARKDM1AMAPTRAB9A
SCHEMBL3019498 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ARMAPTRAB9AMEN1
SCHEMBL3015882 0.86 MAPT (0.54) SMN1; SMN2MAPTRECQLUSP2HSD17B10
SCHEMBL3017184 0.86 AR (0.46) SMN1; SMN2ARKDM1AMAPTRAB9A

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 SMN1; SMN2 1/4885AR 3801/4885KDM1A 3548/4885

“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.