SCHEMBL7121104

SCHEMBL7121104

Nc1cc(Cl)cc(Nc2noc3cc(F)ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.46
CHRNA7 P36544 3/20 0.46
EPHX2 P34913 12/20 0.45
EPAS1 Q99814 2/20 0.38
FADS1 O60427 1/20 0.36

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
SCHEMBL7982160 0.83 FADS1 (0.54) HTR3ACHRNA7EPHX2FADS1
SCHEMBL7130506 0.77 TP53 (0.43) HTR3ACHRNA7EPHX2
SCHEMBL8114894 0.76 EPHX2 (0.59) HTR3ACHRNA7EPHX2
SCHEMBL29118500 0.76 EPHX2 (0.64) HTR3ACHRNA7EPHX2
SCHEMBL30667408 0.76 EPHX2 (0.64) HTR3ACHRNA7EPHX2
SCHEMBL7130674 0.74 NOS1 (0.38) EPHX2
SCHEMBL7130669 0.74 EPHX2 (0.37) HTR3ACHRNA7EPHX2
SCHEMBL6922787 0.72 EPHX2 (0.55) EPHX2FADS1
SCHEMBL2438917 0.70 TP53 (0.57) HTR3ACHRNA7
SCHEMBL16396266 0.70 SOS1 (0.48) EPAS1

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 HTR3A 955/4885CHRNA7 658/4885EPHX2 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.