SCHEMBL23608955

SCHEMBL23608955

c1cc(NCC2(Cn3cncn3)COC2)cc(NC2CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.33
CYP3A4 P08684 4/20 0.32
CYP2C9 P11712 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
IDH1 O75874 1/20 0.32
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL23609733 0.80 KDM4E (0.34) CYP1A2CYP2D6BACE1BACE2HSD17B10
SCHEMBL23608952 0.80 PDE5A (0.36) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL23609131 0.79 MAPK8 (0.30)
SCHEMBL23608951 0.78 CSNK2A2 (0.44) IDH1KDM4EMEN1ALDH1A1MAPT
SCHEMBL23609740 0.72 KDM4E (0.32) KDM4E
SCHEMBL23608960 0.71 IRAK1 (0.33) BACE1BACE2
SCHEMBL23609146 0.71 HSP90AA1 (0.33) CYP3A4CYP2C9HSD17B10MEN1KMT2A
SCHEMBL23608933 0.70 HSP90AA1 (0.31) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL30405860 0.69 CYP2D6 (0.33) CYP3A4CYP2C9CYP2D6
SCHEMBL23876019 0.69 HSP90AA1 (0.33) CYP3A4CYP2C9ALDH1A1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117592-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-04-20 US disclosed
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO 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-20230117592-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX5 IRAK4 3886/4885CYP3A4 812/4885CYP2C9 554/4885

“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.