SCHEMBL3945486

SCHEMBL3945486

CS(=O)(=O)N1CCN(c2ncc(OCc3ccccc3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 1/20 0.55
PRMT5 O14744 2/20 0.53
GPR119 Q8TDV5 4/20 0.52
KIT P10721 2/20 0.52
MMP13 P45452 3/20 0.51
SLC6A7 Q99884 1/20 0.48
MMP14 P50281 1/20 0.46
ALKBH1 Q13686 3/20 0.46
ADAM17 P78536 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL3935977 0.88 PRMT5 (0.61) KDM4ENPC1RAB9ALMNAPRMT5
SCHEMBL2155344 0.82 MAPT (0.59) KDM4ENPC1RAB9ALMNAPRMT5
SCHEMBL15952657 0.81 KIT (0.54) NPC1RAB9AGPR119KITSLC6A7
SCHEMBL26077214 0.79 KIT (0.53) NPC1RAB9AKITSLC6A7ALKBH1
SCHEMBL15953346 0.79 KIT (0.53) NPC1RAB9AKITSLC6A7ALKBH1
SCHEMBL21551042 0.79 SLC6A7 (0.62) KDM4EGPR119KITSLC6A7ALKBH1
SCHEMBL12833327 0.79 KIT (0.54) KDM4ENPC1RAB9AGPR119KIT
SCHEMBL26077251 0.79 KIT (0.53) KDM4ELMNAGPR119KITSLC6A7
SCHEMBL1448399 0.78 GPR119 (0.67) GPR119KITMMP13
SCHEMBL28649345 0.77 PRMT5 (0.50) PRMT5GPR119KITSLC6A7ALKBH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109251166-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2021-11-05 CN disclosed
CN-109251166-A The aminated compounds for inhibiting SSAO/VAP-1 and its application in medicine 广东东阳光药业有限公司 2019-01-22 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
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

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-20070197542-A1 N-{'4-substituted piperazine-1-sulfonylmethyl!alkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors MMP26, MMP9, MMP3 KDM4E 1414/4885NPC1 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.