SCHEMBL5213638

SCHEMBL5213638

CN(C)c1ccc(CNC(=O)CCc2oc(-n3cnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 4/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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) ENPP2HTTTP53MAPTLMNA
SCHEMBL5208698 0.91 TP53 (0.46) ENPP2HTTTP53MAPTLMNA
SCHEMBL5209943 0.91 ENPP2 (0.47) ENPP2HTTTP53MAPTLMNA
SCHEMBL5212575 0.91 ENPP2 (0.49) ENPP2TP53MAPTLMNASMN1; SMN2
SCHEMBL5206854 0.90 ENPP2 (0.44) ENPP2HTTTP53MAPTLMNA
SCHEMBL5211199 0.89 MAPT (0.53) ENPP2HTTTP53MAPTLMNA
SCHEMBL5213091 0.89 ENPP2 (0.42) ENPP2HTTTP53MAPTLMNA
SCHEMBL5212224 0.89 MAPT (0.43) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5207799 0.89 ENPP2 (0.45) ENPP2TP53MAPTLMNASMN1; SMN2
SCHEMBL5212903 0.88 ENPP2 (0.46) ENPP2TP53MAPTLMNASMN1; 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 ENPP2 2808/4885HTT 1097/4885TP53 4375/4885

“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.