SCHEMBL3014468

SCHEMBL3014468

Cc1cccc(Cc2csc(N3CCC(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
ACHE P22303 1/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
FKBP1A P62942 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
F2 P00734 1/20 0.36
IDO1 P14902 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3015659 0.94 KMT2A (0.39) KMT2AMEN1ACHEMAPTALDH1A1
SCHEMBL3022002 0.93 NPBWR1 (0.38) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL3009102 0.92 KMT2A (0.40) KMT2AMEN1ACHEMAPTALDH1A1
SCHEMBL2997895 0.91 ALDH1A1 (0.41) KMT2AMEN1ACHEMAPTALDH1A1
SCHEMBL3005449 0.91 KMT2A (0.38) KMT2AMEN1ACHEMAPTALDH1A1
SCHEMBL3000721 0.91 PIK3CD (0.40) KMT2AMEN1ACHEMAPTALDH1A1
SCHEMBL3011387 0.89 ALDH1A1 (0.41) KMT2AMEN1ACHEMAPTALDH1A1
SCHEMBL3017166 0.89 ACHE (0.40) KMT2AMEN1ACHEMAPTALDH1A1
SCHEMBL3020138 0.88 KMT2A (0.37) KMT2AMEN1ACHEMAPTALDH1A1
SCHEMBL3013042 0.88 KMT2A (0.38) KMT2AMEN1ACHEMAPTALDH1A1

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 KMT2A 2680/4885MEN1 454/4885ACHE 2411/4885

“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.