SCHEMBL4288669

SCHEMBL4288669

N#Cc1ccccc1OC[C@@H]1CN(C(=O)O)CCN1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PARP1 P09874 1/20 0.39
AR P10275 1/20 0.39
LTA4H P09960 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL13705090 0.85 THRB (0.43) TP53ALDH1A1MEN1KMT2ATHRB
SCHEMBL28045093 0.81 LTA4H (0.52) MEN1KMT2APARP1LTA4H
SCHEMBL4288512 0.81 LTA4H (0.52) MEN1KMT2APARP1LTA4H
SCHEMBL4979175 0.81 LTA4H (0.52) MEN1KMT2APARP1LTA4H
SCHEMBL3491740 0.81 LTA4H (0.46) MEN1KMT2ALTA4H
SCHEMBL4291053 0.76 KDM4E (0.39) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4287221 0.76 REN (0.42) PARP1LTA4H
SCHEMBL4287415 0.75 REN (0.39) ALDH1A1MAPTMAPK1PARP1LTA4H
SCHEMBL20140852 0.74 CA1 (0.46) SMN1; SMN2PARP1LTA4HNPC1RAB9A
SCHEMBL12078487 0.74 CA1 (0.46) SMN1; SMN2PARP1LTA4HNPC1RAB9A

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 TP53 2535/4885ALDH1A1 388/4885MEN1 1254/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TP53 2535/4885ALDH1A1 388/4885MEN1 1254/4885

“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.