SCHEMBL3017119

SCHEMBL3017119

COc1ccc(Cl)cc1S(=O)(=O)C1CCN(c2nc(Cc3cccc(Br)c3)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.39
DRD4 P21917 5/20 0.39
DRD3 P35462 5/20 0.39
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 2/20 0.37
HTR7 P34969 1/20 0.37
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.35
CPT1A P50416 3/20 0.35
CPT1B Q92523 3/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL3004621 0.93 DRD2 (0.41) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL15671703 0.92 MAPT (0.40) TDP1TP53HTR7RAB9AALDH1A1
SCHEMBL3022242 0.92 MAPK1 (0.38) DRD2TDP1TP53HTR7RAB9A
SCHEMBL3007108 0.92 TDP1 (0.42) DRD2DRD4DRD3TDP1TP53
SCHEMBL3019551 0.91 ALDH1A1 (0.41) DRD2DRD4DRD3TP53RAB9A
SCHEMBL15671681 0.90 MAPT (0.38) DRD2DRD4DRD3TP53ALDH1A1
SCHEMBL3019226 0.90 TP53 (0.39) TP53HTR7RAB9AALDH1A1KDM4E
SCHEMBL3006331 0.90 TP53 (0.40) DRD2TDP1TP53HTR7RAB9A
SCHEMBL3018474 0.90 MAPT (0.40) DRD2TDP1TP53HTR7RAB9A
SCHEMBL3013140 0.89 DRD2 (0.39) DRD2DRD4DRD3TP53RAB9A

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 DRD2 573/4885DRD4 1124/4885DRD3 682/4885

“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.