SCHEMBL5213245

SCHEMBL5213245

COc1ccc(-c2nc(-n3cnc4ccccc43)oc2CCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 3/20 0.42
KDR P35968 1/20 0.42
PTGS2 P35354 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
GAA P10253 2/20 0.41
ATM Q13315 1/20 0.41
MAOB P27338 1/20 0.41
PLK1 P53350 1/20 0.41
PKM P14618 1/20 0.41
FGFR1 P11362 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5212186 0.91 HTT (0.46) HTTMAPTALDH1A1KDM4EKMT2A
SCHEMBL5216370 0.90 HDAC6 (0.46) HTTMAPTKDM4EHPGDHDAC6
SCHEMBL5213384 0.87 RXRA (0.47) HTTMAPTALDH1A1KDM4EKMT2A
SCHEMBL5211394 0.87 HDAC6 (0.42) MAPTKDM4EHPGDHDAC6LMNA
SCHEMBL5209069 0.85 MKNK2 (0.44) HTTMAPTALDH1A1KDM4EKMT2A
SCHEMBL5211580 0.85 RXRA (0.42) ALDH1A1HPGDHDAC6LMNAKDR
SCHEMBL5212587 0.84 THRB (0.50) MAPTALDH1A1KMT2AHPGDLMNA
SCHEMBL5215079 0.84 RAB9A (0.45) HTTMAPTALDH1A1HPGDRAB9A
SCHEMBL5211199 0.83 MAPT (0.53) HTTMAPTALDH1A1KDM4EKMT2A
SCHEMBL5211644 0.83 RXRA (0.50) HDAC6PTGS2RXRARXRBPLK1

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 HTT 1097/4885MAPT 3958/4885ALDH1A1 1651/4885

“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.