SCHEMBL19911531

SCHEMBL19911531

CCCCn1nnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.59
SLC9A1 P19634 5/20 0.55
CNR1 P21554 3/20 0.51
ACHE P22303 3/20 0.51
CNR2 P34972 3/20 0.51
ALDH1A1 P00352 2/20 0.44
MGAM O43451 1/20 0.44
AMY1A P0DUB6 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ATM Q13315 1/20 0.43
RIPK1 Q13546 2/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
NSD2 O96028 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL19911532 0.92 HCAR3 (0.57) HCAR3SLC9A1CNR1ACHECNR2
SCHEMBL19911556 0.89 SLC9A1 (0.55) HCAR3SLC9A1CNR1ACHECNR2
SCHEMBL19911535 0.86 HCAR3 (0.55) HCAR3SLC9A1ALDH1A1MGAMAMY1A
SCHEMBL19911541 0.86 HCAR3 (0.46) HCAR3SLC9A1CNR1ACHECNR2
SCHEMBL19911568 0.82 KCNH2 (0.46) HCAR3SLC9A1CNR1ACHECNR2
SCHEMBL19911553 0.81 SLC9A1 (0.53) HCAR3SLC9A1CNR1ACHECNR2
SCHEMBL19911537 0.80 ALDH1A1 (0.47) ALDH1A1MGAMAMY1AGAASI
SCHEMBL19911547 0.80 ALDH1A1 (0.44) HCAR3ALDH1A1MGAMAMY1AGAA
SCHEMBL3474345 0.80 ALDH1A1 (0.44) HCAR3ALDH1A1MGAMAMY1AGAA
SCHEMBL210082 0.78 NSD2 (0.61) HCAR3SLC9A1ALDH1A1MAPTNSD2

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 4636/4885SLC9A1 341/4885CNR1 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.