SCHEMBL3000401

SCHEMBL3000401

O=S(=O)(c1ccccc1Br)C1CCN(c2nc(Cc3cccc(Br)c3)cs2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.41
NR3C1 P04150 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
KMT2A Q03164 4/20 0.34
DNM1L O00429 1/20 0.34
MEN1 O00255 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NAAA Q02083 2/20 0.33
DCTPP1 Q9H773 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
MBTD1 Q05BQ5 1/20 0.32

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
SCHEMBL3014642 0.92 CTSS (0.43) CTSSKMT2ADNM1LMEN1NPC1
SCHEMBL3011280 0.92 CTSS (0.39) CTSSKMT2ADNM1LMEN1DCTPP1
SCHEMBL3012034 0.91 CTSS (0.43) CTSSNR3C1KMT2ADNM1LMEN1
SCHEMBL3011673 0.89 MAPT (0.42) CTSSKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3013730 0.89 CTSS (0.41) CTSSKMT2ADNM1LMEN1NPC1
SCHEMBL3016066 0.88 DRD2 (0.41) CTSSNR3C1KMT2A
SCHEMBL3017170 0.88 CTSS (0.45) CTSS
SCHEMBL3018515 0.88 CTSS (0.39) CTSSHTR1AHTR7KMT2AMEN1
SCHEMBL3013544 0.88 CTSS (0.39) CTSSKMT2AMEN1NPC1RAB9A
SCHEMBL3018309 0.88 CTSS (0.39) CTSSKMT2ADNM1LMEN1NAAA

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 CTSS 106/4885NR3C1 1581/4885HTR1A 1256/4885

“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.