SCHEMBL5210428

SCHEMBL5210428

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
CNR1 P21554 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 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
SCHEMBL5211863 0.94 CNR1 (0.42) ENPP2CNR1ALDH1A1MAPK1MAPT
SCHEMBL5207508 0.93 ALDH1A1 (0.46) ENPP2CNR1ALDH1A1MAPK1MAPT
SCHEMBL5210908 0.93 PKM (0.42) CNR1MAPTL3MBTL1TP53LMNA
SCHEMBL5211686 0.92 ALDH1A1 (0.40) ENPP2CNR1ALDH1A1MAPK1MAPT
SCHEMBL5212667 0.92 SMN1; SMN2 (0.38) ENPP2CNR1ALDH1A1MAPK1MAPT
SCHEMBL5211711 0.91 CNR1 (0.38) ENPP2CNR1ALDH1A1MAPK1MAPT
SCHEMBL5212595 0.90 ACHE (0.39) ENPP2CNR1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5206933 0.89 ENPP2 (0.47) ENPP2ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL5209717 0.89 BRD4 (0.43) ALDH1A1MAPTTP53LMNA
SCHEMBL5209979 0.89 CNR1 (0.39) ENPP2CNR1ALDH1A1MAPTSMN1; 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 2808/4885CNR1 193/4885ALDH1A1 1651/4885

“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.