SCHEMBL5213360

SCHEMBL5213360

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCCN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MCHR1 Q99705 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL5215047 0.99 CYP2D6 (0.44) CYP2D6CYP2C19CYP3A4CYP2C9GAA
SCHEMBL5211171 0.94 CYP3A4 (0.53) CYP2D6CYP2C19CYP3A4CYP2C9MAPT
SCHEMBL5213997 0.89 MAPK1 (0.53) CYP2D6CYP2C19CYP3A4CYP2C9GAA
SCHEMBL5209936 0.88 LMNA (0.50) CYP2D6CYP2C19CYP2C9MAPTSMN1; SMN2
SCHEMBL14609769 0.87 SMN1; SMN2 (0.41) MAPTTP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL14609770 0.85 MALT1 (0.42) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL14609867 0.85 SMN1; SMN2 (0.40) CYP2D6CYP2C19CYP3A4CYP2C9MAPT
SCHEMBL5209966 0.85 SMN1; SMN2 (0.46) CYP3A4CYP2C9MAPTKDM4ESMN1; SMN2
SCHEMBL14609887 0.85 ATM (0.42) MAPTATMSMN1; SMN2ALDH1A1TSHR
SCHEMBL5206933 0.85 ENPP2 (0.47) MAPTTP53SMN1; SMN2HTTL3MBTL1

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 CYP2D6 236/4885CYP2C19 201/4885CYP3A4 556/4885

“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.