SCHEMBL8556515

SCHEMBL8556515

O=[N+]([O-])c1ccc2nnn(Cc3ccccc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.57
SLC9A1 P19634 1/20 0.57
PTK2 Q05397 4/20 0.54
CNR1 P21554 1/20 0.51
ACHE P22303 1/20 0.51
CNR2 P34972 1/20 0.51
HCAR3 P49019 1/20 0.50
ALDH1A1 P00352 2/20 0.49
BRD4 O60885 1/20 0.49
MGAM O43451 1/20 0.49
AMY1A P0DUB6 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
ATM Q13315 1/20 0.49
FGFR1 P11362 1/20 0.48
KDM4E B2RXH2 1/20 0.48
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL19911533 0.89 HCAR3 (0.60) GRM2SLC9A1PTK2CNR1ACHE
SCHEMBL16104116 0.83 PTK2 (0.73) GRM2SLC9A1PTK2ALDH1A1MGAM
SCHEMBL19911576 0.83 ALDH1A1 (0.47) PTK2ALDH1A1MGAMAMY1AGAA
SCHEMBL19911564 0.80 SLC9A1 (0.50) SLC9A1PTK2HCAR3ALDH1A1MGAM
SCHEMBL19911563 0.78 ALDH1A1 (0.45) PTK2ALDH1A1MGAMAMY1AGAA
SCHEMBL19911553 0.78 SLC9A1 (0.53) SLC9A1PTK2CNR1ACHECNR2
SCHEMBL19911550 0.77 ALDH1A1 (0.44) PTK2ALDH1A1MGAMAMY1AGAA
SCHEMBL19911579 0.77 ALDH1A1 (0.44) PTK2ALDH1A1MGAMAMY1AGAA
SCHEMBL19911561 0.76 FGFR1 (0.58) ALDH1A1MGAMAMY1AGAASI
SCHEMBL19911556 0.76 SLC9A1 (0.55) GRM2SLC9A1CNR1ACHECNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
EP-0843671-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1998-05-27 EP disclosed
WO-1997003069-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1997-01-30 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-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 GRM2 2693/4885SLC9A1 341/4885PTK2 2850/4885

“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.