SCHEMBL5213997

SCHEMBL5213997

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
STAT3 P40763 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL5211171 0.95 CYP3A4 (0.53) MAPK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5213360 0.89 CYP2D6 (0.45) MAPK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5215047 0.88 CYP2D6 (0.44) MAPK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14609867 0.86 SMN1; SMN2 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL5214554 0.85 NAMPT (0.49) CYP3A4CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5209936 0.85 LMNA (0.50) MAPK1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL14609769 0.84 SMN1; SMN2 (0.41) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5211614 0.83 TSHR (0.40) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5209966 0.83 SMN1; SMN2 (0.46) CYP3A4CYP2C9KMT2AALDH1A1SMN1; SMN2
SCHEMBL14609887 0.83 ATM (0.42) KMT2AALDH1A1SMN1; SMN2LMNAMAPT

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 MAPK1 1553/4885CYP3A4 556/4885CYP2D6 236/4885

“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.