SCHEMBL4282463

SCHEMBL4282463

Brc1ccccc1C[C@@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
ATM Q13315 1/20 0.48
TACR1 P25103 1/20 0.47
SIGMAR1 Q99720 4/20 0.45
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CCR3 P51677 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
LMNA P02545 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
CYP2A13 Q16696 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
SCHEMBL3491795 0.84 LTA4H (0.61) LTA4HTACR1SIGMAR1CYP1A2CYP3A4
SCHEMBL18325 0.84 LTA4H (0.61) LTA4HTACR1SIGMAR1CYP1A2CYP3A4
SCHEMBL24350 0.84 LTA4H (0.61) LTA4HTACR1SIGMAR1CYP1A2CYP3A4
SCHEMBL4287182 0.84 LTA4H (0.53) LTA4HATMTACR1SIGMAR1CYP1A2
SCHEMBL4288685 0.83 LTA4H (0.52) LTA4HTACR1SIGMAR1CYP1A2CYP3A4
SCHEMBL4468839 0.83 LTA4H (0.57) LTA4HTACR1SIGMAR1ALDH1A1CCR3
SCHEMBL3555352 0.83 LTA4H (0.57) LTA4HTACR1SIGMAR1ALDH1A1CCR3
SCHEMBL3555350 0.83 LTA4H (0.57) LTA4HTACR1SIGMAR1ALDH1A1CCR3
SCHEMBL4468845 0.83 LTA4H (0.57) LTA4HTACR1SIGMAR1ALDH1A1CCR3
SCHEMBL4470322 0.83 LTA4H (0.57) LTA4HTACR1SIGMAR1ALDH1A1CCR3

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 8 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
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 LTA4H 1197/4885ATM 2921/4885TACR1 97/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885ATM 2921/4885TACR1 97/4885

“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.