SCHEMBL3001014

SCHEMBL3001014

O=S(=O)(c1cccc(Br)c1)C1CCN(c2nc(Cc3ccccc3)cs2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.41
KCNH2 Q12809 2/20 0.40
HTR2C P28335 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MMP2 P08253 1/20 0.38
DNM1L O00429 1/20 0.36
NR3C1 P04150 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
GBA1 P04062 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL3003523 0.96 HTR2A (0.38) HTR2AKCNH2HTR2CKMT2AMEN1
SCHEMBL3008542 0.92 MAPT (0.36) HTR2AKCNH2HTR2CDNM1LNPC1
SCHEMBL3007182 0.92 GBA1 (0.38) KMT2ADNM1LNPC1RAB9AGBA1
SCHEMBL3019849 0.92 DNM1L (0.35) HTR2AKMT2AMEN1DNM1LNPC1
SCHEMBL3005402 0.91 KMT2A (0.36) HTR2AKCNH2HTR2CKMT2ADNM1L
SCHEMBL3004812 0.90 RAB9A (0.36) HTR2AKCNH2HTR2CKMT2AMEN1
SCHEMBL3016805 0.90 HTR2A (0.35) HTR2AKCNH2HTR2CKMT2AMEN1
SCHEMBL3002917 0.90 KMT2A (0.35) HTR2AKMT2ADNM1LNPC1RAB9A
SCHEMBL3007631 0.90 GPR6 (0.40) HTR2AKCNH2HTR2CKMT2ANR3C1
SCHEMBL3017749 0.90 RAB9A (0.39) HTR2AKCNH2HTR2CKMT2ANR3C1

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 HTR2A 752/4885KCNH2 3130/4885HTR2C 1153/4885

“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.