SCHEMBL3007780

SCHEMBL3007780

O=S(=O)(c1c(F)cccc1F)C1CCN(c2nc(-c3ccc(F)c(Cl)c3)cs2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.50
RAB9A P51151 9/20 0.50
AR P10275 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 8/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
USP2 O75604 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 3/20 0.43
CYP3A4 P08684 1/20 0.41

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
SCHEMBL3013152 0.94 AR (0.54) SMN1; SMN2RAB9AARL3MBTL1ALDH1A1
SCHEMBL3016009 0.92 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AARL3MBTL1ALDH1A1
SCHEMBL3012463 0.91 AR (0.47) SMN1; SMN2RAB9AARL3MBTL1ALDH1A1
SCHEMBL3012406 0.91 MAPT (0.53) SMN1; SMN2RAB9AARL3MBTL1ALDH1A1
SCHEMBL3021233 0.91 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AARL3MBTL1ALDH1A1
SCHEMBL3015168 0.91 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AARL3MBTL1ALDH1A1
SCHEMBL2999110 0.89 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AARL3MBTL1ALDH1A1
SCHEMBL3019458 0.88 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AARL3MBTL1ALDH1A1
SCHEMBL3011801 0.88 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AARL3MBTL1ALDH1A1
SCHEMBL3022687 0.88 AR (0.44) SMN1; SMN2RAB9AARL3MBTL1ALDH1A1

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 SMN1; SMN2 1/4885RAB9A 2943/4885AR 3801/4885

“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.