SCHEMBL5214872

SCHEMBL5214872

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCc1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.41
SUCNR1 Q9BXA5 2/20 0.40
IDO1 P14902 2/20 0.39
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 2/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL5210727 0.94 TRPV1 (0.42) ENPP2IDO1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5213716 0.92 CNR1 (0.41) ENPP2SUCNR1IDO1ALDH1A1SMN1; SMN2
SCHEMBL5206933 0.92 ENPP2 (0.47) ENPP2IDO1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5206683 0.91 ENPP2 (0.40) ENPP2IDO1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5209943 0.90 ENPP2 (0.47) ENPP2ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5212575 0.89 ENPP2 (0.49) ENPP2IDO1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5211863 0.89 CNR1 (0.42) ENPP2ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5209957 0.88 ENPP2 (0.43) ENPP2IDO1SMN1; SMN2LMNAHTT
SCHEMBL5210428 0.88 ENPP2 (0.45) ENPP2ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5212667 0.88 SMN1; SMN2 (0.38) ENPP2IDO1ALDH1A1SMN1; SMN2LMNA

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 2808/4885SUCNR1 385/4885IDO1 542/4885

“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.