SCHEMBL4293508

SCHEMBL4293508

COc1ccc(F)cc1O[C@@H](C)OC(=O)N1CCN(C(=O)O[C@H](C)Oc2cc(F)ccc2OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
MGLL Q99685 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR6 P50406 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 3/20 0.39
PDE4B Q07343 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 2/20 0.39
TSHR P16473 1/20 0.39
ABHD6 Q9BV23 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
SCHEMBL4301342 0.95 ALDH1A1 (0.42) ALDH1A1POLBCYP2C19MGLLSMN1; SMN2
SCHEMBL4752523 0.83 ABHD6 (0.43) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL4753498 0.82 ALDH1A1 (0.48) ALDH1A1POLBCYP2C19SMN1; SMN2KMT2A
SCHEMBL4288154 0.81 CPS1 (0.52) ALDH1A1MGLLABHD6
SCHEMBL4296960 0.80 L3MBTL1 (0.47) ALDH1A1POLBCYP2C19MGLLSMN1; SMN2
SCHEMBL4301380 0.79 SMN1; SMN2 (0.46) ALDH1A1POLBCYP2C19MGLLSMN1; SMN2
SCHEMBL4298277 0.79 KDM4E (0.45) ALDH1A1POLBCYP2C19KMT2AMEN1
SCHEMBL4752576 0.78 KMT2A (0.43) ALDH1A1POLBCYP2C19KMT2AMEN1
SCHEMBL4298262 0.78 ALDH1A1 (0.45) ALDH1A1POLBCYP2C19KMT2AMEN1
SCHEMBL4292826 0.78 ALDH1A1 (0.50) ALDH1A1POLBCYP2C19SMN1; SMN2KMT2A

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 ALDH1A1 388/4885POLB 3799/4885CYP2C19 19/4885

“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.