SCHEMBL3021995

SCHEMBL3021995

O=[N+]([O-])c1ccc(S(=O)(=O)C2CCN(c3nc(-c4ccc(F)c(F)c4)cs3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 9/20 0.52
MAPT P10636 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
AR P10275 2/20 0.44
MAPK1 P28482 1/20 0.41
EGFR P00533 1/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3011004 0.92 SMN1; SMN2 (0.55) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL3018138 0.92 RAB9A (0.53) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL3016335 0.91 SMN1; SMN2 (0.47) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL3006219 0.89 SMN1; SMN2 (0.57) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL3019905 0.89 NPC1 (0.54) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL3003712 0.88 SMN1; SMN2 (0.48) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL3018144 0.88 SMN1; SMN2 (0.53) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL3000842 0.87 SMN1; SMN2 (0.52) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL3020027 0.87 MAPT (0.69) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL3007916 0.87 SMN1; SMN2 (0.58) RAB9ANPC1KMT2AMEN1POLB

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 RAB9A 2943/4885NPC1 15/4885KMT2A 2680/4885

“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.