SCHEMBL1429539

SCHEMBL1429539

O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.72
KMT2A Q03164 2/20 0.71
LMNA P02545 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.66
CYP3A4 P08684 1/20 0.63
POLB P06746 2/20 0.62
MAPK1 P28482 1/20 0.58
EPHX2 P34913 1/20 0.57
SCN9A Q15858 1/20 0.54
MMP1 P03956 1/20 0.51
MMP3 P08254 1/20 0.51
MMP7 P09237 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49

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
SCHEMBL1947493 0.88 L3MBTL1 (0.64) L3MBTL1KMT2ALMNASMN1; SMN2EPHX2
SCHEMBL1429762 0.86 L3MBTL1 (0.77) L3MBTL1KMT2ALMNASMN1; SMN2CYP3A4
SCHEMBL1429882 0.84 KMT2A (0.56) L3MBTL1KMT2ALMNASMN1; SMN2CYP3A4
SCHEMBL1429373 0.81 KMT2A (0.52) L3MBTL1KMT2ALMNASMN1; SMN2POLB
SCHEMBL2225505 0.80 ATM (0.53) L3MBTL1KMT2ALMNASMN1; SMN2SCN9A
SCHEMBL16087252 0.80 SCN9A (0.51) L3MBTL1KMT2ALMNASMN1; SMN2SCN9A
SCHEMBL1945534 0.80 GAA (0.72) L3MBTL1KMT2ALMNASMN1; SMN2EPHX2
SCHEMBL1429654 0.79 HDAC3 (0.50) L3MBTL1KMT2ALMNAPOLBSCN9A
SCHEMBL1429673 0.79 L3MBTL1 (0.70) L3MBTL1KMT2ALMNASMN1; SMN2CYP3A4
SCHEMBL1429534 0.79 L3MBTL1 (0.66) L3MBTL1KMT2ALMNASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 US claimed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP claimed
JP-2011528020-A 2011-11-10 JP claimed
EP-2300432-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-03-30 EP claimed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US claimed
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 WO claimed
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 US disclosed
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 US disclosed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
EP-2300432-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-03-30 EP disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US disclosed
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 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 (2 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-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D L3MBTL1 4734/4885KMT2A 3821/4885LMNA 1760/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 L3MBTL1 4373/4885KMT2A 2387/4885LMNA 799/4885

“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.