SCHEMBL3016548

SCHEMBL3016548

CCOc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(CBr)cc4)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 5/20 0.37
CNR2 P34972 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
AVPR1B P47901 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL3008796 0.93 KMT2A (0.38) KMT2APKMMEN1LMNAHTT
SCHEMBL3008836 0.92 KMT2A (0.40) KMT2APKMMEN1LMNAHTT
SCHEMBL3019320 0.91 MAPT (0.47) KMT2APKMMEN1LMNAHTT
SCHEMBL3017393 0.91 TP53 (0.43) KMT2APKMMEN1LMNAHTT
SCHEMBL3017174 0.91 RAB9A (0.41) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3013175 0.90 HRH3 (0.34) KMT2AMEN1LMNASMN1; SMN2HRH3
SCHEMBL3000391 0.89 KMT2A (0.37) KMT2APKMMEN1LMNAHTT
SCHEMBL3009738 0.89 OPRM1 (0.40) KMT2APKMMEN1LMNAHTT
SCHEMBL3017798 0.89 AVPR1B (0.40) KMT2APKMMEN1LMNAHTT
SCHEMBL3002808 0.88 HTR2A (0.35) HRH3

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 2680/4885PKM 1047/4885MEN1 454/4885

“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.