SCHEMBL22509079

SCHEMBL22509079

N[C@@H]1CNc2ncccc2OC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.37
NISCH Q9Y2I1 2/20 0.35
RIPK1 Q13546 4/20 0.34
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL18475831 0.80 LTA4H (0.36) LTA4HNISCHRIPK1MAPTMEN1
SCHEMBL16700015 0.76 LTA4H (0.33) LTA4HNISCHMEN1KMT2ANPC1
SCHEMBL2061857 0.74 NISCH (0.40) NISCHMAPTMEN1KMT2ALMNA
SCHEMBL24310521 0.73 RIPK1 (0.36) LTA4HNISCHRIPK1MAPTMEN1
SCHEMBL18743996 0.73 RIPK1 (0.46) LTA4HRIPK1MEN1KMT2ALMNA
SCHEMBL30219285 0.72
SCHEMBL29578645 0.72
SCHEMBL19207981 0.72 RIPK1 (0.45) RIPK1MEN1KMT2ANPC1HTT
SCHEMBL20798385 0.71 PDE10A (0.39) LTA4HNISCHRIPK1MEN1KMT2A
SCHEMBL21187104 0.71 NISCH (0.36) LTA4HNISCHRIPK1MAPTMEN1

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-20200317691-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2020-10-08 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-20200317691-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB LTA4H 3657/4885NISCH 3574/4885RIPK1 416/4885

“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.