SCHEMBL3000721

SCHEMBL3000721

O=[N+]([O-])c1cccc(S(=O)(=O)C2CCN(c3nc(Cc4cccc(Br)c4)cs3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.36
ACHE P22303 1/20 0.36
CYP19A1 P11511 1/20 0.35
DNM1L O00429 1/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL3013484 0.93 KMT2A (0.39) PIK3CDPIK3CAPIK3CBKMT2AMEN1
SCHEMBL2997895 0.92 ALDH1A1 (0.41) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL3014468 0.91 KMT2A (0.38) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL3003523 0.90 HTR2A (0.38) KMT2AMEN1SMN1; SMN2DNM1L
SCHEMBL3010254 0.89 KDM1A (0.39) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL3011387 0.88 ALDH1A1 (0.41) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL3019115 0.88 SMN1; SMN2 (0.37) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL3005449 0.88 KMT2A (0.38) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL3015086 0.88 LMNA (0.37) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL3013737 0.88 KDM1A (0.42) KMT2AMEN1POLBLMNASMN1; SMN2

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 PIK3CD 1507/4885PIK3CA 2320/4885PIK3CB 2462/4885

“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.