SCHEMBL7130506

SCHEMBL7130506

N=C(Nc1cc(Cl)cc(Nc2noc3cc(F)ccc23)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
EPHX2 P34913 11/20 0.40
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
MAPK14 Q16539 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 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
SCHEMBL7130669 0.84 EPHX2 (0.37) TP53SMN1; SMN2EPHX2CHRNA7HTR3A
SCHEMBL7117443 0.78 EPHX2 (0.62) TP53SMN1; SMN2EPHX2
SCHEMBL7121104 0.77 HTR3A (0.46) EPHX2CHRNA7HTR3A
SCHEMBL7982160 0.76 FADS1 (0.54) TP53SMN1; SMN2EPHX2CHRNA7HTR3A
SCHEMBL7126929 0.72 EPHX2 (0.55) TP53SMN1; SMN2EPHX2
SCHEMBL2438917 0.69 TP53 (0.57) TP53SMN1; SMN2CHRNA7HTR3A
SCHEMBL7130674 0.68 NOS1 (0.38) EPHX2
SCHEMBL8114894 0.68 EPHX2 (0.59) EPHX2CHRNA7HTR3A
SCHEMBL30667363 0.67 EPHX2 (0.61) TP53SMN1; SMN2EPHX2CHRNA7HTR3A
SCHEMBL29118463 0.67 EPHX2 (0.61) TP53SMN1; SMN2EPHX2CHRNA7HTR3A

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 TP53 4553/4885SMN1; SMN2 1496/4885EPHX2 354/4885

“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.