SCHEMBL5206683

SCHEMBL5206683

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCc1cc(F)cc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.40
IDO1 P14902 1/20 0.38
LMNA P02545 4/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.36
NAMPT P43490 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
SCHEMBL5211891 0.93 CCR2 (0.39) ENPP2IDO1LMNATP53SMN1; SMN2
SCHEMBL5206933 0.92 ENPP2 (0.47) ENPP2IDO1LMNAMAPTTP53
SCHEMBL5212575 0.91 ENPP2 (0.49) ENPP2IDO1LMNAMAPTTP53
SCHEMBL5214872 0.91 ENPP2 (0.41) ENPP2IDO1LMNAMAPTTP53
SCHEMBL5209943 0.89 ENPP2 (0.47) ENPP2LMNAMAPTTP53POLB
SCHEMBL5213716 0.89 CNR1 (0.41) ENPP2IDO1LMNAMAPTTP53
SCHEMBL5207508 0.89 ALDH1A1 (0.46) ENPP2LMNAMAPTTP53SMN1; SMN2
SCHEMBL5211863 0.89 CNR1 (0.42) ENPP2LMNAMAPTTP53SMN1; SMN2
SCHEMBL5210727 0.89 TRPV1 (0.42) ENPP2IDO1LMNAMAPTTP53
SCHEMBL5207799 0.89 ENPP2 (0.45) ENPP2LMNAMAPTTP53SMN1; SMN2

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 ENPP2 2808/4885IDO1 542/4885LMNA 4253/4885

“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.