SCHEMBL19911367

SCHEMBL19911367

C[Si](C)(C)n1cnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MAPT P10636 3/20 0.55
HPGD P15428 1/20 0.54
PKM P14618 1/20 0.51
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.49
FGFR1 P11362 2/20 0.47
BRD4 O60885 1/20 0.44
KCNH2 Q12809 1/20 0.44
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL19911374 0.88 FGFR1 (0.57) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL211698 0.81 L3MBTL1 (0.61) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL19911364 0.78 MAPT (0.61) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL594361 0.78 ALDH1A1 (0.60) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL28299485 0.78 ALDH1A1 (0.60) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL12732375 0.77 ALDH1A1 (0.56) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL15531972 0.77 ALDH1A1 (0.56) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL31304613 0.77 ALDH1A1 (0.56) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL11797084 0.77 PKM (0.64) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL29613728 0.77 ALDH1A1 (0.56) ALDH1A1MAPTHPGDPKMKMT2A

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 3497/4885MAPT 1283/4885HPGD 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.