SCHEMBL5211701

SCHEMBL5211701

NC(=O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
PLK1 P53350 3/20 0.41
KMT2A Q03164 2/20 0.39
FGFR1 P11362 1/20 0.38
NR4A2 P43354 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
ALDH3A1 P30838 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL5213384 0.91 RXRA (0.47) PLK1KMT2AFGFR1NR4A2RXRA
SCHEMBL5212489 0.87 RXRA (0.43) PLK1KMT2AFGFR1NR4A2RXRA
SCHEMBL5211421 0.87 TNKS (0.42) KMT2AALDH1A1MEN1
SCHEMBL5213449 0.86 RXRA (0.43) PLK1KMT2AFGFR1NR4A2RXRA
SCHEMBL5215192 0.86 PIN1 (0.43)
SCHEMBL5206933 0.85 ENPP2 (0.47) KMT2ASMN1; SMN2HTTALDH1A1MEN1
SCHEMBL5206584 0.85 KMT2A (0.41) MKNK1MKNK2PLK1KMT2AFGFR1
SCHEMBL5209936 0.84 LMNA (0.50) KMT2ASMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL5212575 0.84 ENPP2 (0.49) KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL14610117 0.84 PARP1 (0.38) MKNK1MKNK2PLK1SMN1; SMN2

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 MKNK1 3524/4885MKNK2 2303/4885PLK1 4857/4885

“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.