SCHEMBL7128085

SCHEMBL7128085

N=C(Nc1cccc(Nc2noc3ccccc23)c1)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.53
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
HIF1A Q16665 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7117443 0.82 EPHX2 (0.62) EPHX2BACE1BACE2MEN1KMT2A
SCHEMBL7984241 0.80 HIF1A (0.38) MEN1KMT2AKCNK3KCNK9HIF1A
SCHEMBL7130669 0.79 EPHX2 (0.37) EPHX2MEN1KMT2ASMN1; SMN2TP53
SCHEMBL6962792 0.78 KCNK3 (0.54) MEN1KMT2AKCNK3KCNK9SMN1; SMN2
SCHEMBL7128091 0.78 EPHX2 (0.50) EPHX2BACE1BACE2
SCHEMBL7126929 0.77 EPHX2 (0.55) EPHX2BACE1BACE2MEN1KMT2A
SCHEMBL4741893 0.71 EPHX2 (0.71) EPHX2BACE1BACE2MEN1KMT2A
SCHEMBL7115895 0.71 EPHX2 (0.71) EPHX2BACE1BACE2MEN1KMT2A
SCHEMBL15499631 0.71 NPC1 (0.50) MEN1KMT2AKCNK3KCNK9SMN1; SMN2
SCHEMBL7084928 0.71 KCNK3 (0.58) EPHX2MEN1KMT2AKCNK3KCNK9

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 EPHX2 354/4885BACE1 1539/4885BACE2 2025/4885

“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.