SCHEMBL1429941

SCHEMBL1429941

O=C(c1ccc(N2CCOCC2)nc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPK1 P28482 2/20 0.59
KDM4E B2RXH2 3/20 0.59
POLB P06746 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 1/20 0.57
STAT3 P40763 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.54
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
F13A1 P00488 1/20 0.52
TGM2 P21980 1/20 0.52

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
SCHEMBL12965423 0.91 KDM4E (0.68) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL12965693 0.85 SMN1; SMN2 (0.51) ALDH1A1MAPK1KDM4EPOLBHPGD
Hydrochloric Acid SCHEMBL1430079 0.84 SMN1; SMN2 (0.50) ALDH1A1MAPK1KDM4EPOLBHPGD
SCHEMBL2831516 0.82 CCR6 (0.58) ALDH1A1MAPK1L3MBTL1KMT2AEPHX2
SCHEMBL2840023 0.81 L3MBTL1 (0.57) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL1430146 0.81 L3MBTL1 (0.57) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL1430495 0.81 L3MBTL1 (0.57) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL2839981 0.79 L3MBTL1 (0.54) ALDH1A1KDM4EL3MBTL1KMT2ASFRP1
SCHEMBL1945511 0.77 L3MBTL1 (0.81) ALDH1A1MAPK1HPGDMAPTL3MBTL1
SCHEMBL2837181 0.77 L3MBTL1 (0.52) ALDH1A1MAPTSTAT3L3MBTL1KMT2A

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 17 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-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-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
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 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
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US 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 ALDH1A1 3984/4885MAPK1 3231/4885KDM4E 3426/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 ALDH1A1 3994/4885MAPK1 3227/4885KDM4E 2248/4885

“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.