SCHEMBL4284259

SCHEMBL4284259

O=C(O)N1CCN[C@H](Cn2ccc(C(F)(F)F)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.38
KDM4E B2RXH2 3/20 0.37
SCN10A Q9Y5Y9 2/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
KHK P50053 1/20 0.35
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL4289757 0.89 CA1 (0.38) SCN9AKDM4ESCN10ACA1CA2
SCHEMBL13705100 0.85 KDM4E (0.41) SCN9AKDM4ESCN10A
SCHEMBL4290754 0.73 CA1 (0.34) CA1CA2CA4CA9
SCHEMBL26631484 0.71 MGLL (0.38) KDM4EPOLBATMALDH1A1LMNA
SCHEMBL4281879 0.71 KDM4E (0.36) KDM4EKHKPOLBATMALDH1A1
SCHEMBL4288835 0.71 SCN9A (0.43) SCN9ASCN10A
SCHEMBL4287716 0.70 EGLN3 (0.39) CA1CA2CA4CA9POLB
SCHEMBL4282115 0.70 CA1 (0.35) CA1CA2CA4CA9KHK
SCHEMBL17817863 0.70 CA1 (0.34) SCN9ACA1CA2CA4CA9
SCHEMBL4281078 0.69 MAOB (0.40) SCN9ACA1CA2CA4CA9

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 SCN9A 1866/4885KDM4E 760/4885SCN10A 2828/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SCN9A 1866/4885KDM4E 760/4885SCN10A 2828/4885

“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.