SCHEMBL5209979

SCHEMBL5209979

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCc1cc(Cl)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.39
ENPP2 Q13822 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 1/20 0.36
TP53 P04637 3/20 0.36
FGFR1 P11362 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
F2 P00734 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
SCHEMBL5210908 0.94 PKM (0.42) CNR1L3MBTL1PKMPOLBMAPT
SCHEMBL5210310 0.92 P2RX7 (0.39) ENPP2L3MBTL1POLBMAPTP2RX7
SCHEMBL5211863 0.91 CNR1 (0.42) CNR1ENPP2L3MBTL1MAPTTP53
SCHEMBL5209795 0.90 ASAH1 (0.38) ENPP2L3MBTL1POLBMAPTKMT2A
SCHEMBL5210727 0.89 TRPV1 (0.42) CNR1ENPP2MAPTKMT2ATP53
SCHEMBL5206933 0.89 ENPP2 (0.47) ENPP2L3MBTL1POLBMAPTKMT2A
SCHEMBL5209717 0.89 BRD4 (0.43) MAPTP2RX7TP53ALDH1A1LMNA
SCHEMBL5210428 0.89 ENPP2 (0.45) CNR1ENPP2L3MBTL1POLBMAPT
SCHEMBL5212575 0.88 ENPP2 (0.49) CNR1ENPP2L3MBTL1POLBMAPT
SCHEMBL5207508 0.88 ALDH1A1 (0.46) CNR1ENPP2L3MBTL1MAPTTP53

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 CNR1 193/4885ENPP2 2808/4885L3MBTL1 3447/4885

“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.