SCHEMBL3012038

SCHEMBL3012038

Cc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 9/20 0.40
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 4/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
GBA1 P04062 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL3003703 0.93 VCAM1 (0.40) VCAM1MAPTMAPK1LMNANPBWR1
SCHEMBL3014774 0.93 VCAM1 (0.40) VCAM1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL3009596 0.93 VCAM1 (0.39) VCAM1MAPTSMN1; SMN2NPBWR1MCHR1
SCHEMBL3001978 0.92 VCAM1 (0.39) VCAM1MAPTMAPK1LMNANPBWR1
SCHEMBL3019042 0.92 VCAM1 (0.39) VCAM1MAPTMAPK1LMNANPBWR1
SCHEMBL3018148 0.91 VCAM1 (0.42) VCAM1MAPK1NPBWR1MCHR1ALDH1A1
SCHEMBL3022126 0.91 VCAM1 (0.39) VCAM1MAPTMAPK1LMNANPBWR1
SCHEMBL3003868 0.91 BMP1 (0.40) VCAM1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL3007199 0.91 MAPT (0.39) VCAM1MAPTMAPK1LMNANPBWR1
SCHEMBL3009108 0.91 VCAM1 (0.40) VCAM1MAPTMAPK1LMNANPBWR1

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 3154/4885MAPT 18/4885SMN1; SMN2 1/4885

“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.