SCHEMBL7126041

SCHEMBL7126041

N=C(Nc1cccc(Nc2noc3c(Br)cccc23)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.43
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 0.37
ABCG2 Q9UNQ0 5/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
ABCB1 P08183 2/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
HIF1A Q16665 1/20 0.34
EGFR P00533 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL7119170 0.85 EPHX2 (0.47) EPHX2MEN1KMT2AABCG2MAPT
SCHEMBL7117443 0.83 EPHX2 (0.62) EPHX2MEN1KMT2AABCG2MAPT
SCHEMBL7128446 0.78 ABCG2 (0.41) MEN1KMT2AABCG2MAPTKDM4E
SCHEMBL7126929 0.78 EPHX2 (0.55) EPHX2MEN1KMT2AABCG2MAPT
SCHEMBL7128403 0.76 EPHX2 (0.45) EPHX2MEN1KMT2AMAPTKDM4E
SCHEMBL7125078 0.72 HDAC3 (0.45) MEN1KMT2AABCG2MAPTKDM4E
SCHEMBL7125011 0.71 ABCG2 (0.52) MEN1KMT2AABCG2MAPTKDM4E
SCHEMBL21438291 0.69 SMN1; SMN2 (0.40) EPHX2MEN1KMT2AMAPTKDM4E
SCHEMBL7128452 0.69 ABCG2 (0.46) MEN1KMT2AABCG2MAPTKDM4E
SCHEMBL28231626 0.68 MEN1 (0.65) MEN1KMT2AMAPTKDM4ETP53

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 EPHX2 354/4885MEN1 244/4885KMT2A 263/4885

“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.