SCHEMBL19911366

SCHEMBL19911366

CCCn1cnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.68
ALDH1A1 P00352 6/20 0.53
BRD4 O60885 1/20 0.52
KCNH2 Q12809 1/20 0.52
MAPT P10636 6/20 0.51
HPGD P15428 1/20 0.51
HDAC1 Q13547 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 4/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GFER P55789 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL11559748 0.92 PKM (0.65) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL19911402 0.89 PKM (0.54) PKMALDH1A1MAPTL3MBTL1HTT
SCHEMBL11797084 0.88 PKM (0.64) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL9570463 0.87 PKM (0.70) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL7034458 0.86 PKM (0.68) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL9039302 0.84 PKM (0.67) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL7353128 0.83 PKM (0.65) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL19911371 0.83 PKM (0.56) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL19911377 0.82 PKM (0.64) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL19911400 0.82 PKM (0.60) PKMALDH1A1BRD4KCNH2MAPT

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 PKM 2292/4885ALDH1A1 3497/4885BRD4 2/4885

“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.