SCHEMBL623124

SCHEMBL623124

COc1cccc(S(=O)(=O)CC(=O)N2CCN(c3cc(OCC(C)C)ncn3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
PDGFRB P09619 1/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL623463 0.89 POLB (0.47) MAPTTP53KMT2AALDH1A1POLB
SCHEMBL624738 0.89 MAPT (0.40) MAPTTP53ALDH1A1POLBLMNA
SCHEMBL624485 0.84 TP53 (0.43) MAPTTP53L3MBTL1KMT2AALDH1A1
SCHEMBL624243 0.84 GAA (0.57) MAPTTP53L3MBTL1KMT2AALDH1A1
SCHEMBL622950 0.84 MAPT (0.49) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL623989 0.84 MAPT (0.46) MAPTTP53L3MBTL1KMT2AALDH1A1
SCHEMBL624464 0.78 KMT2A (0.54) MAPTL3MBTL1KMT2AALDH1A1POLB
SCHEMBL624178 0.78 NPC1 (0.48) MAPTTP53KMT2AALDH1A1POLB
SCHEMBL15006772 0.78 LOXL2 (0.38) L3MBTL1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL622716 0.77 NPC1 (0.53) MAPTKMT2AALDH1A1POLBMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US claimed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 WO claimed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 WO 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-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G MAPT 3432/4885TP53 4837/4885L3MBTL1 2801/4885

“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.