SCHEMBL7119209

SCHEMBL7119209

Nc1cc(C(F)(F)F)cc(N)c1-c1noc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
RAPGEF3 O95398 4/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
LCK P06239 1/20 0.37
BRD4 O60885 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AOC3 Q16853 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
MAOB P27338 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL7125896 0.81 ESR1 (0.49) ESR1ESR2RAPGEF3LCKSMN1; SMN2
SCHEMBL9469039 0.69 KDM4E (0.49) EPHX2ESR1ESR2AOC3CA12
SCHEMBL29118490 0.69 EPHX2 (0.44) EPHX2ESR1ESR2RAPGEF3RAPGEF4
SCHEMBL30667359 0.69 EPHX2 (0.44) EPHX2ESR1ESR2RAPGEF3RAPGEF4
SCHEMBL30667344 0.68 EPHX2 (0.76) EPHX2
SCHEMBL29118470 0.68 EPHX2 (0.76) EPHX2
SCHEMBL24129933 0.67 KIF11 (0.50)
SCHEMBL5613767 0.67 EPHX2 (0.50) EPHX2ESR1ESR2SMN1; SMN2CA12
SCHEMBL28430363 0.66 ESR1 (0.56) EPHX2ESR1ESR2AOC3CA12
SCHEMBL4083639 0.65 ALDH1A1 (0.45) SMN1; SMN2RAB9A

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 354/4885ESR1 1382/4885ESR2 889/4885

“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.