SCHEMBL3005437

SCHEMBL3005437

COc1ccc(OC)c(Cc2csc(N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
MAPT P10636 3/20 0.48
RECQL P46063 2/20 0.48
USP2 O75604 2/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
IDO1 P14902 1/20 0.42
HTT P42858 3/20 0.42
POLB P06746 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GBA1 P04062 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL3013480 0.93 MAPT (0.48) TP53MAPTRECQLUSP2HSD17B10
SCHEMBL3016080 0.91 MAPT (0.46) MAPTRECQLUSP2HSD17B10ALDH1A1
SCHEMBL3014718 0.91 ALDH1A1 (0.51) TP53MAPTRECQLUSP2HSD17B10
SCHEMBL3017934 0.90 MAPT (0.54) TP53MAPTRECQLUSP2HSD17B10
SCHEMBL3012533 0.90 TP53 (0.48) TP53MAPTRECQLUSP2HSD17B10
SCHEMBL3008856 0.89 TSHR (0.50) TP53MAPTRECQLUSP2HSD17B10
SCHEMBL3012701 0.88 GAA (0.50) TP53MAPTRECQLUSP2HSD17B10
SCHEMBL3014551 0.88 MAPT (0.49) MAPTRECQLUSP2HSD17B10ALDH1A1
SCHEMBL3002769 0.88 L3MBTL1 (0.49) TP53MAPTRECQLUSP2HSD17B10
SCHEMBL3008232 0.87 MAPT (0.52) MAPTRECQLUSP2HSD17B10ALDH1A1

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 TP53 2880/4885MAPT 18/4885RECQL 1564/4885

“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.