SCHEMBL927447

SCHEMBL927447

Cc1nc2c(cc1C(=O)NC(=N)N)C(O)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.39
ACHE P22303 5/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.31
NR2F2 P24468 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
UGT2B17 O75795 2/20 0.30

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
SCHEMBL7911358 0.87 SLC9A1 (0.38) SLC9A1ACHEALDH1A1TSHRKDM4E
SCHEMBL928773 0.83 SLC9A1 (0.35) SLC9A1ACHE
SCHEMBL7903007 0.81 SLC9A1 (0.39) SLC9A1ALDH1A1KDM4EMAPTLMNA
SCHEMBL928776 0.81 SLC9A1 (0.34) SLC9A1ACHE
SCHEMBL7916778 0.80 SLC9A1 (0.33) SLC9A1ACHEALDH1A1TSHRKDM4E
SCHEMBL7912931 0.80 SLC9A1 (0.59) SLC9A1ACHEALDH1A1KDM4EMAPT
SCHEMBL7916794 0.79 SLC9A1 (0.61) SLC9A1ACHEALDH1A1KDM4EMAPT
SCHEMBL927184 0.79 SLC9A1 (0.61) SLC9A1ACHEALDH1A1KDM4EMAPT
SCHEMBL7902762 0.78 SLC9A1 (0.37) SLC9A1ALDH1A1KDM4EMAPTLMNA
SCHEMBL7910322 0.77 SLC9A1 (0.43) SLC9A1ACHEALDH1A1TSHRKDM4E

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
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
US-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 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 SLC9A1 5/4885ACHE 3979/4885ALDH1A1 438/4885

“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.