SCHEMBL3006979

SCHEMBL3006979

O=S(=O)(c1cccc(Br)c1)C1CCN(c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM1A O60341 2/20 0.38
MAOA P21397 1/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3003356 0.92 AR (0.57) ARNPSR1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3002625 0.90 AR (0.56) ARNPSR1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3015599 0.89 AR (0.53) ARNPSR1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3010751 0.88 RAB9A (0.50) NPSR1RAB9ASMN1; SMN2CYP1A2MAPT
SCHEMBL3017157 0.87 AR (0.60) ARNPSR1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3021277 0.87 AR (0.60) ARNPSR1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3022246 0.87 RAB9A (0.51) RAB9ASMN1; SMN2CYP1A2MAPTCYP2C9
SCHEMBL3016907 0.87 AR (0.57) ARNPSR1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3015649 0.86 AR (0.51) ARNPSR1RAB9ASMN1; SMN2CYP1A2
SCHEMBL2998952 0.86 AR (0.54) ARNPSR1RAB9ASMN1; SMN2CYP1A2

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.