SCHEMBL3014718

SCHEMBL3014718

COc1ccc(OC)c(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 4/20 0.50
USP2 O75604 2/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 2/20 0.48
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 1/20 0.45
POLB P06746 3/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
GPR183 P32249 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42

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
SCHEMBL3010727 0.93 MAPT (0.50) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL3010249 0.92 MAPT (0.51) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL3017730 0.92 MAPT (0.51) ALDH1A1SMN1; SMN2MAPTUSP2RECQL
SCHEMBL3018903 0.91 MAPT (0.49) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL3017481 0.91 MAPT (0.61) ALDH1A1SMN1; SMN2MAPTUSP2RECQL
SCHEMBL3008856 0.91 TSHR (0.50) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL3005437 0.91 TP53 (0.48) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL3012701 0.90 GAA (0.50) ALDH1A1HTTKDM4EMAPTUSP2
SCHEMBL3016645 0.90 HSD11B1 (0.52) ALDH1A1HTTSMN1; SMN2MAPTUSP2
SCHEMBL3018537 0.89 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTUSP2RECQL

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 ALDH1A1 3510/4885HTT 2/4885SMN1; SMN2 1/4885

“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.