SCHEMBL19911541

SCHEMBL19911541

CCCCCCCCN(CCCCCCCC)CCn1nnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.46
KCNH2 Q12809 1/20 0.46
CNR1 P21554 2/20 0.44
ACHE P22303 2/20 0.44
CNR2 P34972 2/20 0.44
SLC9A1 P19634 4/20 0.44
OPRM1 P35372 1/20 0.40
MAPT P10636 1/20 0.39
SMARCA2 P51531 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MGAM O43451 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AMY1A P0DUB6 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL19911569 0.91 KCNH2 (0.46) HCAR3KCNH2CNR1ACHECNR2
SCHEMBL19911568 0.90 KCNH2 (0.46) HCAR3KCNH2CNR1ACHECNR2
SCHEMBL19911531 0.86 HCAR3 (0.59) HCAR3CNR1ACHECNR2SLC9A1
SCHEMBL19911532 0.83 HCAR3 (0.57) HCAR3CNR1ACHECNR2SLC9A1
SCHEMBL19911486 0.81 SLC9A1 (0.50) HCAR3SLC9A1MAPT
SCHEMBL19911574 0.81 KCNH2 (0.46) KCNH2CNR1ACHECNR2SLC9A1
SCHEMBL19911623 0.80 SLC9A1 (0.49) HCAR3SLC9A1
SCHEMBL19911591 0.80 SLC9A1 (0.49) HCAR3SLC9A1MAPT
SCHEMBL19911371 0.80 PKM (0.56) KCNH2CNR1ACHECNR2OPRM1
SCHEMBL19911517 0.78 SLC9A1 (0.47) HCAR3SLC9A1MAPTMGAMAMY1A

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 4636/4885KCNH2 91/4885CNR1 3847/4885

“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.