SCHEMBL3011387

SCHEMBL3011387

COc1cccc(Cc2csc(N3CCC(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
ADORA2A P29274 1/20 0.40
MAPT P10636 4/20 0.39
HSD17B10 Q99714 3/20 0.39
USP2 O75604 1/20 0.39
RECQL P46063 1/20 0.39
GPR6 P46095 2/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
IDO1 P14902 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PTPRB P23467 1/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 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
SCHEMBL3019483 0.94 ALDH1A1 (0.38) ALDH1A1KDM4ETHRBMAPTHSD17B10
SCHEMBL3000443 0.94 MAPT (0.40) ALDH1A1KDM4ETHRBADORA2AMAPT
SCHEMBL3004816 0.93 ALDH1A1 (0.42) ALDH1A1KDM4ETHRBMAPTLMNA
SCHEMBL3021294 0.90 POLB (0.46) ALDH1A1KDM4ETHRBMAPTUSP2
SCHEMBL3014468 0.89 KMT2A (0.38) ALDH1A1MAPTLMNAIDO1MEN1
SCHEMBL2997895 0.89 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL3000721 0.88 PIK3CD (0.40) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL3015351 0.88 MAPT (0.39) ALDH1A1MAPTHSD17B10USP2RECQL
SCHEMBL3019462 0.88 HTR6 (0.40) ALDH1A1KDM4ETHRBMAPTHSD17B10
SCHEMBL3006277 0.88 ALDH1A1 (0.38) ALDH1A1KDM4ETHRBMAPTHSD17B10

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 ALDH1A1 3510/4885KDM4E 4398/4885THRB 2628/4885

“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.