SCHEMBL19911533

SCHEMBL19911533

O=[N+]([O-])c1ccc2c(c1)nnn2Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.60
GRM2 Q14416 2/20 0.57
SLC9A1 P19634 1/20 0.57
PTK2 Q05397 4/20 0.54
CNR2 P34972 3/20 0.54
ACHE P22303 2/20 0.54
CNR1 P21554 1/20 0.54
PKM P14618 1/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
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
TDP1 Q9NUW8 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
SCHEMBL8556515 0.89 GRM2 (0.57) HCAR3GRM2SLC9A1PTK2CNR2
SCHEMBL16104116 0.83 PTK2 (0.73) GRM2SLC9A1PTK2ALDH1A1MGAM
SCHEMBL19911537 0.83 ALDH1A1 (0.47) PTK2PKMALDH1A1MGAMAMY1A
SCHEMBL19911535 0.80 HCAR3 (0.55) HCAR3SLC9A1PTK2PKMALDH1A1
SCHEMBL10797939 0.79 HCAR3 (0.68) HCAR3GRM2SLC9A1PTK2ALDH1A1
SCHEMBL19911532 0.78 HCAR3 (0.57) HCAR3SLC9A1CNR2ACHECNR1
SCHEMBL19911547 0.77 ALDH1A1 (0.44) HCAR3PTK2PKMALDH1A1MGAM
SCHEMBL3474345 0.77 ALDH1A1 (0.44) HCAR3PTK2PKMALDH1A1KDM4E
SCHEMBL19911534 0.77 ALDH1A1 (0.44) PTK2PKMALDH1A1MGAMAMY1A
SCHEMBL19911543 0.77 ALDH1A1 (0.44) PTK2PKMALDH1A1MGAMAMY1A

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 1 patent. 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

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 HCAR3 4636/4885GRM2 2693/4885SLC9A1 341/4885

“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.