SCHEMBL3015087

SCHEMBL3015087

O=S(=O)(c1cccc(Br)c1)C1CCN(c2nc(Cc3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.38
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
GAA P10253 1/20 0.35
KDR P35968 2/20 0.34
AR P10275 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
SPR P35270 1/20 0.34
MAPT P10636 1/20 0.33
MBTD1 Q05BQ5 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL3010140 0.93 RAB9A (0.41) EPHX2RAB9ASMN1; SMN2GRM2GRM3
SCHEMBL3007766 0.90 EPHX2 (0.44) EPHX2RAB9ASMN1; SMN2GRM2GRM3
SCHEMBL3014120 0.89 EPHX2 (0.44) EPHX2RAB9ASMN1; SMN2GAAAR
SCHEMBL3008542 0.89 MAPT (0.36) RAB9ASMN1; SMN2MAPTMBTD1L3MBTL3
SCHEMBL3004812 0.88 RAB9A (0.36) RAB9ASMN1; SMN2GAASPRMAPT
SCHEMBL3003808 0.88 EPHX2 (0.46) EPHX2RAB9ASMN1; SMN2GRM2GRM3
SCHEMBL3018929 0.88 EPHX2 (0.42) EPHX2RAB9ASMN1; SMN2GRM2GRM3
SCHEMBL3017749 0.87 RAB9A (0.39) RAB9ASMN1; SMN2MAPTHTR2AHTR2C
SCHEMBL3001134 0.87 EPHX2 (0.42) EPHX2RAB9ASMN1; SMN2GRM2GRM3
SCHEMBL3000939 0.87 CTSS (0.44) EPHX2RAB9ASMN1; SMN2ARMAPT

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 EPHX2 4409/4885RAB9A 2943/4885SMN1; 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.