SCHEMBL3011920

SCHEMBL3011920

COc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 2/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3001116 0.92 ALDH1A1 (0.54) KMT2AGALR3NR2F2RAB9AUSP2
SCHEMBL3002600 0.91 KMT2A (0.47) KMT2AUSP2MAPTRECQLHSD17B10
SCHEMBL3013884 0.90 TSHR (0.53) KMT2AUSP2MAPTRECQLHSD17B10
SCHEMBL3011233 0.89 ALDH1A1 (0.49) USP2MAPTRECQLHSD17B10POLB
SCHEMBL3004835 0.88 HDAC3 (0.47) USP2MAPTRECQLHSD17B10POLB
SCHEMBL3011204 0.88 MAPT (0.56) USP2MAPTRECQLHSD17B10POLB
SCHEMBL3007865 0.88 GAA (0.49) USP2MAPTRECQLHSD17B10POLB
SCHEMBL3007522 0.88 TSHR (0.45) KMT2AUSP2MAPTRECQLHSD17B10
SCHEMBL3009111 0.88 RECQL (0.47) KMT2ARAB9AUSP2MAPTRECQL
SCHEMBL3012563 0.88 RAB9A (0.51) GALR3NR2F2RAB9AUSP2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
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 2680/4885GALR3 2906/4885NR2F2 2510/4885

“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.