SCHEMBL1429619

SCHEMBL1429619

Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Br)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 1/20 0.46
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
ABL1 P00519 2/20 0.44
BCR P11274 2/20 0.44
LMNA P02545 3/20 0.42
POLB P06746 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR2 P34972 1/20 0.41
ATM Q13315 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
SCHEMBL1430644 0.92 LMNA (0.50) EPHX2L3MBTL1CNR1MEN1CYP1A2
SCHEMBL12965662 0.89 CNR2 (0.52) L3MBTL1CNR1MEN1CYP1A2CYP2C9
SCHEMBL13373110 0.88 LMNA (0.52) L3MBTL1LMNAPOLBGAAHTT
SCHEMBL1429767 0.85 EPHX2 (0.46) EPHX2CNR1MEN1KMT2APOLB
SCHEMBL1430495 0.84 L3MBTL1 (0.57) L3MBTL1CNR1MEN1CYP1A2CYP2C9
SCHEMBL13373158 0.79 LMNA (0.65) MEN1KMT2ALMNAGAAHTT
SCHEMBL13373239 0.77 EPHX2 (0.44) EPHX2CNR1MEN1KMT2APOLB
SCHEMBL13373156 0.77 TDP1 (0.58) L3MBTL1KMT2ALMNAPOLBGAA
Hydrochloric Acid SCHEMBL1429437 0.76 EPHX2 (0.43) EPHX2CNR1MEN1KMT2APOLB
SCHEMBL1429810 0.76 MEN1 (0.52) L3MBTL1MEN1KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 US disclosed
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-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-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
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 EPHX2 3915/4885L3MBTL1 4734/4885CNR1 285/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 EPHX2 4441/4885L3MBTL1 4373/4885CNR1 332/4885

“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.