SCHEMBL5214145

SCHEMBL5214145

CCC(CC)(c1ccc(NC(=O)CCc2oc(NCc3ccccc3)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 5/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC1 Q13547 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
MGLL Q99685 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MLYCD O95822 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
SCHEMBL5208774 0.87 MAPT (0.39) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5208383 0.86 SMO (0.43) CETPMEN1KMT2AMAPTKDM4E
SCHEMBL5207015 0.85 MAPT (0.41) CETPMEN1KMT2AMAPTHTT
SCHEMBL5211936 0.84 MAPT (0.42) CETPMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6159244 0.83 HDAC1 (0.38) CETPMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5214147 0.83 MAPT (0.44) CETPMEN1KMT2AMAPTKDM4E
SCHEMBL5207462 0.83 MAPT (0.41) CETPMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5213172 0.82 CETP (0.40) CETPMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5211337 0.82 SMO (0.42) CETPMEN1KMT2AMAPTKDM4E
SCHEMBL5207374 0.81 LMNA (0.46) CETPMEN1KMT2AMAPTALDH1A1

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 CETP 3930/4885MEN1 1626/4885KMT2A 680/4885

“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.