SCHEMBL5209280

SCHEMBL5209280

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)Nc1ccccc1CO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.38
CNR2 P34972 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PIN1 Q13526 1/20 0.34
ENPP2 Q13822 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
SCHEMBL5210199 0.90 POLB (0.36) POLBTP53CNR2SMN1; SMN2HDAC1
SCHEMBL5211421 0.88 TNKS (0.42) POLBCNR2ALDH1A1PIN1
SCHEMBL5215192 0.87 PIN1 (0.43) POLBPIN1
SCHEMBL5211351 0.87 MEN1 (0.40) NPC1RAB9APOLBTP53SMN1; SMN2
SCHEMBL5213712 0.87 POLB (0.46) POLBTP53SMN1; SMN2ALDH1A1
SCHEMBL5210908 0.85 PKM (0.42) POLBTP53
SCHEMBL5209613 0.85 CNR2 (0.39) POLBCNR2SMN1; SMN2ALDH1A1PIN1
SCHEMBL5206933 0.84 ENPP2 (0.47) POLBTP53SMN1; SMN2ALDH1A1ENPP2
SCHEMBL5208205 0.84 TP53 (0.42) POLBTP53CNR2SMN1; SMN2ALDH1A1
SCHEMBL5212575 0.84 ENPP2 (0.49) POLBTP53SMN1; SMN2ALDH1A1ENPP2

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 4611/4885POLB 3507/4885

“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.