SCHEMBL4295875

SCHEMBL4295875

O=C(O)N1CCN[C@@H](Cn2cnc3ccccc32)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.46
APAF1 O14727 1/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LCK P06239 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
TNF P01375 1/20 0.41

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
SCHEMBL4295876 1.00 EGLN3 (0.46) EGLN3APAF1LMNACYP3A4CYP2D6
SCHEMBL4290072 0.89 EGLN3 (0.50) EGLN3APAF1LMNACYP3A4CYP2D6
SCHEMBL8112724 0.84 MAPK1 (0.40) EGLN3APAF1LCKKDM4ESMN1; SMN2
SCHEMBL4288610 0.79 GAA (0.47) EGLN3APAF1CYP2C9CYP2C19KDM4E
SCHEMBL1581991 0.77 CCR5 (0.52) EGLN3APAF1LMNADRD2DRD4
SCHEMBL4286302 0.76 CYP11B1 (0.42) CYP11B1CYP11B2
SCHEMBL4286305 0.76 CYP11B1 (0.42) CYP11B1CYP11B2
SCHEMBL4283233 0.76 ESR1 (0.47)
SCHEMBL4283230 0.76 ESR1 (0.47)
SCHEMBL1255703 0.75 HTT (0.52) EGLN3LMNATDP1SMN1; SMN2CYP11B1

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT EGLN3 1069/4885APAF1 1366/4885LMNA 1785/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT EGLN3 1069/4885APAF1 1366/4885LMNA 1785/4885

“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.