SCHEMBL5207499

SCHEMBL5207499

COC(=O)CCc1oc(-c2ccc3ccccc3c2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
VDR P11473 1/20 0.43
PPARD Q03181 1/20 0.43
RPS6KB2 Q9UBS0 1/20 0.43
MAPT P10636 6/20 0.41
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
UTRN P46939 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXRA P19793 2/20 0.39

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
SCHEMBL5211537 0.89 RXRA (0.47) VDRPPARDMAPTALDH1A1MEN1
SCHEMBL5210730 0.87 RXRA (0.53) CCNCCDK8MAPTTHRBRXFP1
SCHEMBL5211085 0.86 NR4A2 (0.42) MAPTTHRBRXFP1MEN1KMT2A
SCHEMBL5212252 0.86 MAPT (0.47) VDRPPARDMAPTALDH1A1MEN1
SCHEMBL5209458 0.84 LMNA (0.44) MAPTALDH1A1KDM4ELMNATP53
SCHEMBL5209850 0.83 KDM4E (0.41) CCNCCDK8VDRRPS6KB2MAPT
SCHEMBL5209211 0.82 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5212387 0.82 KDM4E (0.38) CCNCCDK8RPS6KB2MAPTALDH1A1
SCHEMBL5209323 0.81 MAPT (0.41) RPS6KB2MAPTALDH1A1MEN1KMT2A
SCHEMBL5211259 0.81 FAAH (0.44) MAPTALDH1A1MEN1KMT2AKDM4E

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 CCNC 1490/4885CDK8 1787/4885VDR 246/4885

“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.