SCHEMBL4289769

SCHEMBL4289769

FC(F)(F)c1ccccc1C[C@@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ATM Q13315 2/20 0.58
ALDH1A1 P00352 1/20 0.58
TACR1 P25103 1/20 0.54
LTA4H P09960 1/20 0.50
SIGMAR1 Q99720 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
C5AR1 P21730 1/20 0.44
CNR2 P34972 3/20 0.42
HSD11B1 P28845 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4287182 0.84 LTA4H (0.53) KDM4EATMALDH1A1TACR1LTA4H
SCHEMBL4469485 0.83 CNR2 (0.59) KDM4EATMALDH1A1TACR1LTA4H
SCHEMBL4466263 0.83 CNR2 (0.59) KDM4EATMALDH1A1TACR1LTA4H
SCHEMBL4466265 0.83 CNR2 (0.59) KDM4EATMALDH1A1TACR1LTA4H
SCHEMBL3553516 0.81 TACR1 (0.55) KDM4EALDH1A1TACR1LTA4HSIGMAR1
SCHEMBL3553519 0.81 TACR1 (0.55) KDM4EALDH1A1TACR1LTA4HSIGMAR1
SCHEMBL3491795 0.81 LTA4H (0.61) ALDH1A1TACR1LTA4HSIGMAR1POLB
SCHEMBL24350 0.81 LTA4H (0.61) ALDH1A1TACR1LTA4HSIGMAR1POLB
SCHEMBL18325 0.81 LTA4H (0.61) ALDH1A1TACR1LTA4HSIGMAR1POLB
SCHEMBL4282463 0.81 LTA4H (0.53) ATMALDH1A1TACR1LTA4HSIGMAR1

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 7 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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 KDM4E 760/4885ATM 2921/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885ATM 2921/4885ALDH1A1 388/4885

“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.