SCHEMBL5207620

SCHEMBL5207620

[O-][S+]1CCN(C2(CCc3oc(-c4n[nH]c5ccccc45)nc3-c3ccc(Cl)cc3)OO2)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALPL P05186 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TTK P33981 1/20 0.32
MAPK10 P53779 1/20 0.32
MAP2K4 P45985 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL5209890 0.80 CYP1A2 (0.36) CYP1A2CYP2D6KDM4EALDH1A1GAA
SCHEMBL5210481 0.80 NPC1 (0.31)
SCHEMBL5215303 0.73 RXRA (0.48) IDO1CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL5211972 0.71 TNKS (0.42) KDM4EHPGDMAPK10MAP2K4
SCHEMBL5212479 0.70 MAP2K4 (0.43) IDO1CYP1A2KDM4EALDH1A1ALPL
SCHEMBL5207975 0.67 TACR1 (0.45)
SCHEMBL5381079 0.66 IDO1 (0.71) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL5212418 0.61 MAPT (0.43) KDM4EALDH1A1
SCHEMBL26911852 0.55 LRRK2 (0.72) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL29548155 0.55 LRRK2 (0.72) IDO1KDM4EALDH1A1ALPLGAA

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 IDO1 542/4885CYP1A2 98/4885CYP2D6 236/4885

“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.