SCHEMBL5209957

SCHEMBL5209957

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.43
IDO1 P14902 2/20 0.43
LMNA P02545 3/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
AOC3 Q16853 2/20 0.38
CNR1 P21554 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5209943 0.94 ENPP2 (0.47) ENPP2LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL5212575 0.94 ENPP2 (0.49) ENPP2IDO1LMNASMN1; SMN2L3MBTL1
SCHEMBL5212780 0.91 IDO1 (0.42) ENPP2IDO1LMNASMN1; SMN2L3MBTL1
SCHEMBL5206933 0.91 ENPP2 (0.47) ENPP2IDO1LMNASMN1; SMN2L3MBTL1
SCHEMBL5212903 0.90 ENPP2 (0.46) ENPP2IDO1LMNASMN1; SMN2L3MBTL1
SCHEMBL5210727 0.90 TRPV1 (0.42) ENPP2IDO1LMNASMN1; SMN2KMT2A
SCHEMBL5209936 0.88 LMNA (0.50) ENPP2LMNASMN1; SMN2KMT2AMAPT
SCHEMBL5214872 0.88 ENPP2 (0.41) ENPP2IDO1LMNASMN1; SMN2KMT2A
SCHEMBL5206683 0.88 ENPP2 (0.40) ENPP2IDO1LMNASMN1; SMN2L3MBTL1
SCHEMBL5207799 0.88 ENPP2 (0.45) ENPP2LMNASMN1; SMN2L3MBTL1KMT2A

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 2808/4885IDO1 542/4885LMNA 4253/4885

“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.