SCHEMBL5208185

SCHEMBL5208185

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.42
MKNK2 Q9HBH9 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 4/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
F2 P00734 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
HTT P42858 1/20 0.37
IDO1 P14902 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5206933 0.94 ENPP2 (0.47) ENPP2LMNAMAPTTP53SMN1; SMN2
SCHEMBL5213091 0.92 ENPP2 (0.42) ENPP2LMNAMAPTTP53SMN1; SMN2
SCHEMBL5209943 0.91 ENPP2 (0.47) ENPP2LMNAMAPTTP53SMN1; SMN2
SCHEMBL5212575 0.91 ENPP2 (0.49) ENPP2LMNAMAPTTP53SMN1; SMN2
SCHEMBL5207799 0.90 ENPP2 (0.45) ENPP2MKNK2LMNAMAPTTP53
SCHEMBL5211891 0.90 CCR2 (0.39) ENPP2MKNK2LMNATP53SMN1; SMN2
SCHEMBL5208698 0.90 TP53 (0.46) ENPP2LMNAMAPTTP53ALDH1A1
SCHEMBL5206854 0.90 ENPP2 (0.44) ENPP2LMNAMAPTTP53SMN1; SMN2
SCHEMBL5210803 0.89 AURKA (0.43) MKNK2LMNAMAPTTP53SMN1; SMN2
SCHEMBL5212903 0.88 ENPP2 (0.46) 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 2808/4885MKNK2 2303/4885HDAC6 1663/4885

“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.