SCHEMBL3014231

SCHEMBL3014231

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
VCAM1 P19320 3/20 0.37
HSD11B1 P28845 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CASP6 P55212 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TXNRD1 Q16881 2/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
PDE5A O76074 2/20 0.35
PDGFRB P09619 1/20 0.35
ERBB2 P04626 3/20 0.35
EPHA2 P29317 3/20 0.35

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
SCHEMBL3016253 0.92 VCAM1 (0.37) SMN1; SMN2ALDH1A1GAAVCAM1HSD11B1
SCHEMBL3003868 0.91 BMP1 (0.40) RAB9ALMNASMN1; SMN2ALDH1A1VCAM1
SCHEMBL3007183 0.90 ERBB2 (0.39) RAB9ALMNASMN1; SMN2ALDH1A1GAA
SCHEMBL3022126 0.89 VCAM1 (0.39) LMNAALDH1A1VCAM1L3MBTL1TXNRD1
SCHEMBL3010737 0.89 VCAM1 (0.38) LMNAALDH1A1VCAM1L3MBTL1TXNRD1
SCHEMBL3021664 0.89 ERBB2 (0.40) RAB9ALMNASMN1; SMN2GAAHSD11B1
SCHEMBL3014450 0.88 KDM4E (0.41) RAB9ASMN1; SMN2ALDH1A1HSD11B1MAPT
SCHEMBL3015351 0.88 MAPT (0.39) LMNASMN1; SMN2ALDH1A1VCAM1L3MBTL1
SCHEMBL3012563 0.88 RAB9A (0.51) RAB9AGALR3NR2F2LMNASMN1; SMN2
SCHEMBL3019042 0.88 VCAM1 (0.39) LMNAALDH1A1VCAM1HTR1AHTR1D

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 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.