SCHEMBL927183

SCHEMBL927183

[CH2]c1nc2c(cc1C(=O)NC(=N)N)CCCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.45
KDM4E B2RXH2 6/20 0.40
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
ALDH1A1 P00352 6/20 0.39
POLB P06746 3/20 0.39
EEF2K O00418 1/20 0.39
SMN1; SMN2 Q16637 9/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SORT1 Q99523 2/20 0.35
MAPT P10636 5/20 0.34
TP53 P04637 3/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL7916809 0.84 SLC9A1 (0.45) SLC9A1KDM4ENPC1RAB9AALDH1A1
SCHEMBL927184 0.84 SLC9A1 (0.61) SLC9A1KDM4ENPC1RAB9AALDH1A1
SCHEMBL7916794 0.84 SLC9A1 (0.61) SLC9A1KDM4ENPC1RAB9AALDH1A1
SCHEMBL7912931 0.83 SLC9A1 (0.59) SLC9A1KDM4ENPC1RAB9AALDH1A1
SCHEMBL926631 0.82 SLC9A1 (0.43) SLC9A1KDM4ENPC1RAB9AALDH1A1
SCHEMBL7913104 0.81 KDM4E (0.45) SLC9A1KDM4ENPC1RAB9AALDH1A1
SCHEMBL7913003 0.81 SLC9A1 (0.43) SLC9A1KDM4ENPC1RAB9AALDH1A1
SCHEMBL7902791 0.81 SLC9A1 (0.45) SLC9A1KDM4ENPC1RAB9AALDH1A1
SCHEMBL7902925 0.81 SLC9A1 (0.45) SLC9A1KDM4ENPC1RAB9AALDH1A1
SCHEMBL7916722 0.81 SLC9A1 (0.45) SLC9A1KDM4ENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SLC9A1 5/4885KDM4E 2194/4885NPC1 188/4885

“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.