SCHEMBL5207013

SCHEMBL5207013

CCC(CC)(c1ccc(NC(=O)CCc2oc(-n3cnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
TNKS O95271 2/20 0.37
CETP P11597 2/20 0.35
CNR2 P34972 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
THRB P10828 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5212555 0.94 TNKS (0.38) MAPTPOLBTNKSCNR2NPC1
SCHEMBL5213983 0.93 CNR2 (0.38) MAPTPOLBTNKSCNR2NPC1
SCHEMBL5212631 0.92 CNR2 (0.40) MAPTPOLBCETPCNR2NPC1
SCHEMBL5212127 0.91 SMN1; SMN2 (0.40) MAPTTNKSNPC1RAB9AALDH1A1
SCHEMBL5209814 0.90 POLB (0.37) MAPTPOLBTNKSCETPCNR2
SCHEMBL5211745 0.89 MAPT (0.41) MAPTPOLBTNKSCNR2NPC1
SCHEMBL5211421 0.89 TNKS (0.42) MAPTPOLBTNKSCNR2ALDH1A1
SCHEMBL5207492 0.88 AURKA (0.37) MAPTPOLBCNR2NPC1RAB9A
SCHEMBL5214634 0.87 MAPT (0.40) MAPTPOLBCETPALDH1A1LMNA
SCHEMBL5211116 0.87 MAPT (0.38) MAPTPOLBTNKSCETPALDH1A1

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 6 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 claimed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US claimed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP claimed
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 MAPT 3958/4885POLB 3507/4885TNKS 4684/4885

“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.