SCHEMBL5207945

SCHEMBL5207945

COc1ccc(-c2nc(-n3cnc4ccccc43)oc2CCC2(N3CC[S+]([O-])CC3)OO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
MAPT P10636 5/20 0.36
HPGD P15428 3/20 0.36
MAOB P27338 1/20 0.35
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.34
KMT2A Q03164 4/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 2/20 0.33
USP2 O75604 1/20 0.33
GFER P55789 1/20 0.33
PKM P14618 1/20 0.32
PTK2 Q05397 1/20 0.31
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 3/20 0.31
RAB9A P51151 2/20 0.31
PLK1 P53350 1/20 0.31
LCK P06239 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5212154 0.91 PIK3CB (0.32) HTTMAPTKMT2ANPSR1
SCHEMBL5212227 0.90 PTGS2 (0.31)
SCHEMBL5213245 0.75 HTT (0.46) HTTMAPTHPGDMAOBFGFR1
SCHEMBL5212186 0.74 HTT (0.46) HTTMAPTHPGDMAOBFGFR1
SCHEMBL5215079 0.72 RAB9A (0.45) HTTMAPTHPGDLMNANPC1
SCHEMBL5210210 0.69 PTGS2 (0.31) KMT2AMEN1
SCHEMBL5212587 0.69 THRB (0.50) MAPTHPGDKDRKMT2ALMNA
SCHEMBL5211321 0.69 TACR1 (0.33) KMT2APLK1MEN1
SCHEMBL5211963 0.68 PTGS2 (0.41) HTTMAPTHPGDLMNAGFER
SCHEMBL5211199 0.68 MAPT (0.53) HTTMAPTHPGDKMT2ALMNA

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 3958/4885HPGD 958/4885

“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.