SCHEMBL2998952

SCHEMBL2998952

O=S(=O)(c1ccc(Br)cc1Cl)C1CCN(c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.54
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 3/20 0.37
MAPK1 P28482 3/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CTSS P25774 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL3005795 0.94 AR (0.60) ARNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL3015205 0.89 AR (0.54) ARNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL3002625 0.89 AR (0.56) ARNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL3020022 0.89 SMN1; SMN2 (0.51) NPSR1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL3009339 0.88 AR (0.49) ARNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL3017665 0.87 RAB9A (0.47) ARRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL3009687 0.87 AR (0.57) ARNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL3008651 0.87 AR (0.59) ARNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL3007712 0.87 AR (0.54) ARNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL3006979 0.86 AR (0.53) ARNPSR1RAB9ASMN1; SMN2NPC1

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 AR 3801/4885NPSR1 764/4885RAB9A 2943/4885

“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.