SCHEMBL3945889

SCHEMBL3945889

CS(=O)(=O)N1CCN(c2ncc(I)cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 5/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMO Q99835 2/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
GPR119 Q8TDV5 2/20 0.40

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
SCHEMBL17411276 0.84 LMNA (0.69) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL6646127 0.83 LMNA (0.67) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL3935660 0.83 LMNA (0.67) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL19105534 0.81 LMNA (0.65) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL942312 0.80 LMNA (1.00) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL5916430 0.79 LMNA (0.49) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL16756561 0.79 LMNA (0.61) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL28618636 0.79 LMNA (0.71) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL15722232 0.76 HRH4 (0.50) ALDH1A1USP2HSD17B10CYP1A2TSHR
SCHEMBL6644916 0.75 LMNA (0.56) LMNANPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1812974-B N- {' 4-substituted piperazine-1-sulfonylmethyl alkyl } -N-hydroxyformamide compounds as metalloproteinase inhibitors ASTRAZENECA AB 2011-06-29 CN disclosed
US-7485644-B2 N-{'4-substituted piperazine-1-sulfonylmethylalkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-02-03 US disclosed
EP-1644340-B1 N-[({'4-SUBSTITUTED PIPERAZINE-1-YL}SULFONYLMETHYL)ALKYL]-N-HYDROXYFORMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-11-12 EP disclosed
US-20070197542-A1 N-{'4-substituted piperazine-1-sulfonylmethyl!alkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2007-08-23 US disclosed
US-7153857-B2 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2006-12-26 US disclosed
US-20060229313-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2006-10-12 US disclosed
CN-1812974-A N- {' 4-substituted piperazine-1-sulfonylmethyl alkyl } -N-hydroxyformamide compounds as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-08-02 CN disclosed
EP-1644340-A1 N-{'4-SUBSTITUTED PIPERAZINE-1-SULFONYLMETHYL]ALKYL}-N-HYDROXYFORMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2006-04-12 EP disclosed
WO-2005000822-A1 N-{‘4-SUBSTITUTED PIPERAZINE-1-SULFONYLMETHYL!ALKYL}-N-HYDROXYFOMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2005-01-06 WO disclosed
US-20040220185-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-11-04 US disclosed
EP-1417201-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2004-05-12 EP disclosed
WO-2003014111-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2003-02-20 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 (3 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-20060229313-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 LMNA 3270/4885NPC1 1779/4885RAB9A 2952/4885
US-20040220185-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 LMNA 2980/4885NPC1 1261/4885RAB9A 3128/4885
US-20070197542-A1 N-{'4-substituted piperazine-1-sulfonylmethyl!alkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors MMP26, MMP9, MMP3 LMNA 903/4885NPC1 406/4885RAB9A 1717/4885

“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.