SCHEMBL19911546

SCHEMBL19911546

C[Si](C)(C)n1nnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 6/20 0.43
NSD2 O96028 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
PKM P14618 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL19911557 0.88 FGFR1 (0.43) MAPTALDH1A1NSD2TXNRD1TXNRD3
SCHEMBL210082 0.81 NSD2 (0.61) MAPTALDH1A1NSD2TXNRD1TXNRD3
SCHEMBL19911542 0.78 MAPT (0.47) MAPTALDH1A1NSD2TXNRD1TXNRD3
SCHEMBL27627284 0.78 ALDH1A1 (0.46) MAPTALDH1A1NSD2TXNRD1TXNRD3
SCHEMBL8424662 0.78 ALDH1A1 (0.46) MAPTALDH1A1NSD2TXNRD1TXNRD3
SCHEMBL19911535 0.77 HCAR3 (0.55) MAPTALDH1A1NSD2CYP1A2PKM
SCHEMBL19911536 0.77 HCAR3 (0.55) MAPTALDH1A1NSD2TXNRD1TXNRD3
SCHEMBL19911558 0.77 HCAR3 (0.55) MAPTALDH1A1NSD2TXNRD1TXNRD3
SCHEMBL30447942 0.77 HCAR3 (0.55) MAPTALDH1A1NSD2TXNRD1TXNRD3
SCHEMBL19911566 0.76 MGAM (0.52) MAPTALDH1A1NSD2TXNRD1TXNRD3

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 3497/4885NSD2 598/4885

“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.