SCHEMBL5210898

SCHEMBL5210898

CC(C(=O)O)c1oc(-c2ccccc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
ADRA1A P35348 1/20 0.53
FAAH O00519 1/20 0.46
KCNH2 Q12809 1/20 0.46
SMO Q99835 1/20 0.44
ADK P55263 1/20 0.44
RXRA P19793 3/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PTGS2 P35354 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
IKBKB O14920 1/20 0.41
NR4A2 P43354 1/20 0.40
MAPT P10636 3/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL7459960 0.83 MAOA (0.48) MAOAADRA1ARXRARXRBRXRG
SCHEMBL10833843 0.82 MAOA (0.47) MAOAADRA1ARXRARXRBRXRG
SCHEMBL7459166 0.80 MAOA (0.41) MAOAADRA1AFAAHKCNH2RXRA
SCHEMBL7461749 0.80 PTGDR2 (0.42) MAOAADRA1ARXRARXRBRXRG
SCHEMBL7461922 0.79 MAOA (0.44) MAOAADRA1ARXRARXRBRXRG
SCHEMBL7457830 0.79 MAOA (0.44) MAOAADRA1ARXRARXRBRXRG
SCHEMBL10834263 0.79 MAOA (0.44) MAOAADRA1ARXRARXRBRXRG
SCHEMBL7463350 0.79 MAOA (0.44) MAOAADRA1ARXRARXRBRXRG
SCHEMBL7456936 0.79 MAOA (0.44) MAOAADRA1ARXRARXRBRXRG
SCHEMBL7457919 0.78 MAOA (0.44) MAOAADRA1ARXRARXRBRXRG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 MAOA 1426/4885ADRA1A 1401/4885FAAH 2368/4885

“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.