SCHEMBL19911554

SCHEMBL19911554

O=[N+]([O-])c1ccc2nnn(-c3ccncc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
FGFR1 P11362 1/20 0.44
NPC1 O15118 2/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
SLC6A2 P23975 1/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
POLB P06746 1/20 0.40
MGAM O43451 1/20 0.39
AMY1A P0DUB6 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
PDE4B Q07343 1/20 0.39

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
SCHEMBL19911549 0.89 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1NPC1PKN1
SCHEMBL19911561 0.87 FGFR1 (0.58) ALDH1A1KMT2AMEN1FGFR1NPC1
SCHEMBL22559669 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1FGFR1MAPT
SCHEMBL30986900 0.75 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1FGFR1NPC1
SCHEMBL19911530 0.75 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1FGFR1NPC1
SCHEMBL11458726 0.75 FGFR1 (0.47) ALDH1A1KMT2AMEN1FGFR1MAPT
SCHEMBL6298229 0.75 KMT2A (0.63) ALDH1A1KMT2AMEN1MAPTMGAM
SCHEMBL19911396 0.74 FGFR1 (0.77) ALDH1A1KMT2AMEN1FGFR1NPC1
SCHEMBL19911559 0.74 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1FGFR1MAPT
SCHEMBL19848336 0.74 NPC1 (0.55) ALDH1A1KMT2AMEN1NPC1MAPT

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 ALDH1A1 3497/4885KMT2A 458/4885MEN1 1058/4885

“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.