SCHEMBL3010737

SCHEMBL3010737

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 8/20 0.38
TXNRD1 Q16881 4/20 0.37
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSS P25774 1/20 0.35
BMP1 P13497 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
F2RL3 Q96RI0 1/20 0.34

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
SCHEMBL3003868 0.94 BMP1 (0.40) VCAM1TXNRD1NPBWR1MCHR1ALDH1A1
SCHEMBL3015351 0.93 MAPT (0.39) VCAM1TXNRD1ALDH1A1LMNAMAPT
SCHEMBL3016253 0.91 VCAM1 (0.37) VCAM1TXNRD1NPBWR1MCHR1ALDH1A1
SCHEMBL3009108 0.90 VCAM1 (0.40) VCAM1TXNRD1NPBWR1MCHR1ALDH1A1
SCHEMBL3014057 0.90 MAPT (0.37) MCHR1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL3003703 0.89 VCAM1 (0.40) VCAM1TXNRD1NPBWR1MCHR1ALDH1A1
SCHEMBL3014231 0.89 RAB9A (0.40) VCAM1TXNRD1ALDH1A1LMNAMAPT
SCHEMBL3014774 0.88 VCAM1 (0.40) VCAM1NPBWR1MCHR1ALDH1A1LMNA
SCHEMBL3012038 0.88 VCAM1 (0.40) VCAM1NPBWR1MCHR1ALDH1A1LMNA
SCHEMBL3016965 0.88 VCAM1 (0.49) VCAM1NPBWR1MCHR1LMNAMAPT

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 VCAM1 3154/4885TXNRD1 137/4885NPBWR1 782/4885

“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.