SCHEMBL927564

SCHEMBL927564

N=C(N)NC(=O)c1cc2c(nc1COS(=O)(=O)O)CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
SLC9A1 P19634 1/20 0.38
SMN1; SMN2 Q16637 9/20 0.34
RAB9A P51151 9/20 0.34
NPC1 O15118 8/20 0.34
ALDH1A1 P00352 10/20 0.33
POLB P06746 5/20 0.33
KMT2A Q03164 2/20 0.33
EEF2K O00418 1/20 0.33
PPARG P37231 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MAPT P10636 7/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TP53 P04637 3/20 0.31
LMNA P02545 3/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL927565 0.90 KDM4E (0.37) KDM4ESLC9A1SMN1; SMN2RAB9ANPC1
SCHEMBL7912966 0.86 KDM4E (0.43) KDM4ESLC9A1SMN1; SMN2RAB9ANPC1
SCHEMBL926631 0.83 SLC9A1 (0.43) KDM4ESLC9A1SMN1; SMN2RAB9ANPC1
SCHEMBL7913104 0.82 KDM4E (0.45) KDM4ESLC9A1SMN1; SMN2RAB9ANPC1
SCHEMBL7913003 0.82 SLC9A1 (0.43) KDM4ESLC9A1SMN1; SMN2RAB9ANPC1
SCHEMBL7911317 0.79 SLC9A1 (0.43) KDM4ESLC9A1SMN1; SMN2RAB9ANPC1
SCHEMBL7902812 0.77 ALDH1A1 (0.39) KDM4ESLC9A1SMN1; SMN2RAB9ANPC1
SCHEMBL927183 0.76 SLC9A1 (0.45) KDM4ESLC9A1SMN1; SMN2RAB9ANPC1
SCHEMBL927184 0.76 SLC9A1 (0.61) KDM4ESLC9A1SMN1; SMN2RAB9ANPC1
SCHEMBL7916809 0.76 SLC9A1 (0.45) KDM4ESLC9A1SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1849774-B1 CYCLOHEPTA(b)PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TOA EIYO LTD (JP) 2011-06-29 EP disclosed
US-7875625-B2 3-guanidinocarbonyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ylmethyl hydrogen sulfate, inhibitory effect on an Na+/H+ exchanger; TOA EIYO LTD. (JP) 2011-01-25 US disclosed
US-20090012114-A1 Cyclohepta[B]Pyridine-3-Carbonylguanidine Derivative and Pharmaceutical Product Containing Same TOA EIYO LTD. (JP) 2009-01-08 US disclosed
EP-1849774-A1 CYCLOHEPTA(b)PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TOA EIYO LTD. (JP) 2007-10-31 EP 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-20090012114-A1 Cyclohepta[B]Pyridine-3-Carbonylguanidine Derivative and Pharmaceutical Product Containing Same SLC10A6, SLC26A3, SLC9A3 KDM4E 2194/4885SLC9A1 5/4885SMN1; SMN2 1788/4885

“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.