SCHEMBL3014889

SCHEMBL3014889

O=S(=O)(c1cccc(Br)c1)C1CCN(c2nc(-c3cc(F)cc(F)c3)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.45
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 10/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.43
USP2 O75604 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN6 P29350 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
SCHEMBL3006447 0.94 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3014861 0.91 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3016185 0.90 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL3016646 0.89 RAB9A (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3022246 0.89 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3012682 0.89 MEN1 (0.52) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1
SCHEMBL3016086 0.89 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3011415 0.89 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3010949 0.88 RAB9A (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL3017533 0.88 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1

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 15/4885SMN1; 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.