SCHEMBL3001978

SCHEMBL3001978

CCCc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 14/20 0.39
ALDH1A1 P00352 3/20 0.37
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 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
SCHEMBL3014774 0.93 VCAM1 (0.40) VCAM1ALDH1A1NPBWR1MCHR1KDM4E
SCHEMBL3012038 0.92 VCAM1 (0.40) VCAM1ALDH1A1NPBWR1MCHR1KDM4E
SCHEMBL3009596 0.92 VCAM1 (0.39) VCAM1ALDH1A1NPBWR1MCHR1KDM4E
SCHEMBL3018148 0.90 VCAM1 (0.42) VCAM1ALDH1A1NPBWR1MCHR1KDM4E
SCHEMBL3022126 0.90 VCAM1 (0.39) VCAM1ALDH1A1NPBWR1MCHR1KDM4E
SCHEMBL3022148 0.90 LMNA (0.36) LMNA
SCHEMBL3014624 0.90 VCAM1 (0.41) VCAM1ALDH1A1NPBWR1MCHR1KDM4E
SCHEMBL3003868 0.89 BMP1 (0.40) VCAM1ALDH1A1NPBWR1MCHR1KDM4E
SCHEMBL3009108 0.89 VCAM1 (0.40) VCAM1ALDH1A1NPBWR1MCHR1KDM4E
SCHEMBL3019042 0.89 VCAM1 (0.39) VCAM1ALDH1A1NPBWR1MCHR1KDM4E

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 3154/4885ALDH1A1 3510/4885NPBWR1 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.