SCHEMBL4298277

SCHEMBL4298277

COc1cc(Br)ccc1O[C@@H](C)OC(=O)N1CCN(C(=O)O[C@H](C)Oc2ccc(Br)cc2OC)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
MGAM O43451 2/20 0.45
GAA P10253 2/20 0.45
SI P14410 2/20 0.45
MGAM2 Q2M2H8 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 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
SCHEMBL4296960 0.85 L3MBTL1 (0.47) KDM4EALDH1A1LMNAPOLBCYP2C19
SCHEMBL4301342 0.84 ALDH1A1 (0.42) KDM4EALDH1A1POLBCYP2C19TP53
SCHEMBL4301380 0.84 SMN1; SMN2 (0.46) KDM4EALDH1A1LMNAPOLBCYP2C19
SCHEMBL4295179 0.84 KDM4E (0.44) KDM4EALDH1A1LMNAPOLBMEN1
SCHEMBL4292826 0.83 ALDH1A1 (0.50) ALDH1A1GAAPOLBCYP2C19MEN1
SCHEMBL4753498 0.82 ALDH1A1 (0.48) KDM4EALDH1A1GAAPOLBCYP2C19
SCHEMBL4298297 0.82 MGLL (0.46) ALDH1A1POLBCYP2C19MAPT
SCHEMBL4293508 0.79 ALDH1A1 (0.42) KDM4EALDH1A1POLBCYP2C19TP53
SCHEMBL4288263 0.76 NPSR1 (0.43) KDM4EALDH1A1GAALMNAPOLB
SCHEMBL4752576 0.76 KMT2A (0.43) KDM4EALDH1A1GAALMNAPOLB

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 1 patent. 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

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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885ALDH1A1 388/4885MGAM 2398/4885

“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.