SCHEMBL5210481

SCHEMBL5210481

[O-][S+]1CCN(C2(CCc3oc(-c4ccc(Cl)c(Cl)c4)nc3-c3ccc(Cl)cc3)OO2)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NOTUM Q6P988 1/20 0.30
NR1I3 Q14994 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
SCHEMBL5207620 0.80 IDO1 (0.33)
SCHEMBL5209890 0.79 CYP1A2 (0.36) NPC1RAB9A
SCHEMBL5206601 0.67 POLB (0.39) NPC1RAB9A
SCHEMBL5213743 0.62 TACR1 (0.49)
SCHEMBL5210973 0.58 RXRA (0.64)
SCHEMBL5214841 0.57 TP53 (0.49) NPC1RAB9A
SCHEMBL5210730 0.57 RXRA (0.53)
SCHEMBL5211457 0.56 NPC1 (0.47) NPC1RAB9A
SCHEMBL5211085 0.56 NR4A2 (0.42) NOTUM
SCHEMBL10369589 0.56 PTPN1 (0.42) NPC1RAB9ANOTUM

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 NPC1 3792/4885RAB9A 4611/4885NOTUM 2521/4885

“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.