SCHEMBL3013944

SCHEMBL3013944

O=[N+]([O-])c1cc(S(=O)(=O)C2CCN(c3nc(Cc4ccc(F)c(Cl)c4)cs3)CC2)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 11/20 0.37
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MITF O75030 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
GSR P00390 1/20 0.33
TXNRD1 Q16881 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3010192 0.95 VCAM1 (0.37) VCAM1NPBWR1MCHR1ALDH1A1KDM4E
SCHEMBL3012603 0.94 VCAM1 (0.37) VCAM1NPBWR1MCHR1ALDH1A1KDM4E
SCHEMBL3022126 0.93 VCAM1 (0.39) VCAM1NPBWR1MCHR1ALDH1A1KDM4E
SCHEMBL3009596 0.92 VCAM1 (0.39) VCAM1NPBWR1MCHR1ALDH1A1KDM4E
SCHEMBL3009108 0.91 VCAM1 (0.40) VCAM1NPBWR1MCHR1ALDH1A1KDM4E
SCHEMBL3009255 0.91 HTR2A (0.37) ALDH1A1MAPTGAADRD2HTR2A
SCHEMBL3013108 0.90 VCAM1 (0.38) VCAM1NPBWR1MCHR1ALDH1A1KDM4E
SCHEMBL3019649 0.90 MAPT (0.40) ALDH1A1POLBMAPTDRD2HTR2A
SCHEMBL3016860 0.90 L3MBTL1 (0.36) ALDH1A1LMNAMAPTGAADRD2
SCHEMBL3011357 0.90 L3MBTL1 (0.36) ALDH1A1LMNAMAPTGAADRD2

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 3154/4885NPBWR1 782/4885MCHR1 3574/4885

“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.