SCHEMBL5211199

SCHEMBL5211199

COc1ccc(CNC(=O)CCc2oc(-n3cnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
TP53 P04637 4/20 0.53
ENPP2 Q13822 2/20 0.47
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 2/20 0.43
HSD17B10 Q99714 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KLK7 P49862 1/20 0.42
ATM Q13315 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
SCHEMBL5206933 0.94 ENPP2 (0.47) MAPTTP53ENPP2ALDH1A1KMT2A
SCHEMBL5209074 0.93 TP53 (0.45) MAPTTP53ENPP2ALDH1A1KMT2A
SCHEMBL5208698 0.91 TP53 (0.46) MAPTTP53ENPP2ALDH1A1KMT2A
SCHEMBL5209943 0.91 ENPP2 (0.47) MAPTTP53ENPP2ALDH1A1KMT2A
SCHEMBL5212575 0.91 ENPP2 (0.49) MAPTTP53ENPP2ALDH1A1KMT2A
SCHEMBL5206854 0.90 ENPP2 (0.44) MAPTTP53ENPP2ALDH1A1KMT2A
SCHEMBL5214089 0.89 KMT2A (0.49) MAPTTP53ENPP2ALDH1A1KMT2A
SCHEMBL5213638 0.89 ENPP2 (0.42) MAPTTP53ENPP2ALDH1A1KMT2A
SCHEMBL5213091 0.89 ENPP2 (0.42) MAPTTP53ENPP2ALDH1A1KMT2A
SCHEMBL5212587 0.89 THRB (0.50) MAPTTP53ALDH1A1KMT2AMEN1

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 MAPT 3958/4885TP53 4375/4885ENPP2 2808/4885

“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.