SCHEMBL5211537

SCHEMBL5211537

COC(=O)CCc1oc(-c2ccccc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
SMO Q99835 1/20 0.43
FAAH O00519 1/20 0.43
KCNH2 Q12809 1/20 0.43
ADK P55263 1/20 0.43
VDR P11473 1/20 0.42
PPARD Q03181 1/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL5211259 0.91 FAAH (0.44) RXRARXRBRXRGKDM4EMEN1
SCHEMBL5212252 0.90 MAPT (0.47) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL5209458 0.90 LMNA (0.44) KDM4EALDH1A1LMNAFAAHKCNH2
SCHEMBL5207499 0.89 CCNC (0.48) RXRARXRBRXRGKDM4EMEN1
SCHEMBL5211706 0.88 RXRA (0.50) RXRARXRBRXRGMEN1KMT2A
SCHEMBL5210892 0.87 RXRA (0.62) RXRARXRBRXRGKDM4ECYP1A2
SCHEMBL5209850 0.85 KDM4E (0.41) RXRARXRBRXRGKDM4EMEN1
SCHEMBL5209323 0.84 MAPT (0.41) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL5207385 0.84 NR4A2 (0.51) RXRARXRBRXRGKDM4EMEN1
SCHEMBL5402803 0.84 KDM4E (0.43) RXRARXRBRXRGKDM4EMEN1

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 RXRA 1231/4885RXRB 1269/4885RXRG 1203/4885

“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.