SCHEMBL19911364

SCHEMBL19911364

Nn1cnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.61
▸ ALDH1A1 P00352 5/20 0.60
▸ HPGD P15428 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ FGFR1 P11362 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ BRD4 O60885 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ TXNRD1 Q16881 1/20 0.45
▸ TXNRD3 Q86VQ6 1/20 0.45
▸ TXNRD2 Q9NNW7 1/20 0.45
▸ CYP3A4 P08684 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ XDH P47989 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
SCHEMBL19911399 0.87 FGFR1 (0.60) MAPTALDH1A1HPGDPKMSMN1; SMN2
SCHEMBL211698 0.80 L3MBTL1 (0.61) MAPTALDH1A1HPGDPKMSMN1; SMN2
SCHEMBL28299485 0.80 ALDH1A1 (0.60) MAPTALDH1A1HPGDPKMSMN1; SMN2
SCHEMBL594361 0.80 ALDH1A1 (0.60) MAPTALDH1A1HPGDPKMSMN1; SMN2
SCHEMBL11050724 0.79 ALDH1A1 (0.58) MAPTALDH1A1HPGDPKMSMN1; SMN2
SCHEMBL19911367 0.78 ALDH1A1 (0.57) MAPTALDH1A1HPGDPKMSMN1; SMN2
SCHEMBL19911380 0.76 ALDH1A1 (0.56) MAPTALDH1A1HPGDPKMSMN1; SMN2
SCHEMBL12732375 0.76 ALDH1A1 (0.56) MAPTALDH1A1HPGDPKMSMN1; SMN2
SCHEMBL22449397 0.76 ALDH1A1 (0.56) MAPTALDH1A1HPGDPKMSMN1; SMN2
SCHEMBL31304613 0.76 ALDH1A1 (0.56) MAPTALDH1A1HPGDPKMSMN1; SMN2

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 MAPT 1283/4885ALDH1A1 3497/4885HPGD 2179/4885

“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.

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