SCHEMBL3016376

SCHEMBL3016376

CCCc1ccc(-c2csc(N3CCC(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 8/20 0.44
MAPT P10636 8/20 0.44
KDM1A O60341 1/20 0.43
LMNA P02545 4/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KCNQ1 P51787 1/20 0.39
NPBWR1 P48145 1/20 0.38

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
SCHEMBL3012813 0.93 KMT2A (0.48) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3019198 0.91 RAB9A (0.56) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3009056 0.89 KMT2A (0.51) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3016745 0.88 ACHE (0.39) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL2998035 0.88 SMN1; SMN2 (0.53) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3018761 0.88 KMT2A (0.46) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3020379 0.87 SMN1; SMN2 (0.58) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3012719 0.86 SMN1; SMN2 (0.53) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3006727 0.86 MAPT (0.53) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3015600 0.86 SMN1; SMN2 (0.48) KMT2AMEN1NPC1RAB9APOLB

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 454/4885NPC1 15/4885

“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.