SCHEMBL4289872

SCHEMBL4289872

O=C(O)N1CCN[C@H](CCOc2cccc(OC(F)F)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CCR3 P51677 1/20 0.37
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 1/20 0.36
REN P00797 1/20 0.36
SCN9A Q15858 2/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
EGFR P00533 2/20 0.35
BTK Q06187 2/20 0.35
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35

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
SCHEMBL4285458 0.86 KDM4E (0.41) KDM4EKMT2AMEN1CCR3PARP1
SCHEMBL3493396 0.85 TEAD1 (0.46) KDM4EKMT2AMEN1MAPTTSHR
SCHEMBL4284610 0.85 REN (0.44) KDM4EKMT2AMEN1MAPK1CCR3
Hydrochloric Acid SCHEMBL4293711 0.84 PARP1 (0.45) KDM4EKMT2AMEN1MAPTTSHR
Hydrochloric Acid SCHEMBL4293709 0.84 PARP1 (0.45) KDM4EKMT2AMEN1MAPTTSHR
SCHEMBL4295458 0.82 ALDH1A1 (0.39) KDM4EKMT2AMEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL4283409 0.82 MAOB (0.44) KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4290859 0.82 ALDH1A1 (0.38) KDM4EKMT2AMEN1MAPTMAPK1
SCHEMBL4294977 0.81 NPC1 (0.45) KDM4EMAPTMAPK1ALDH1A1SIGMAR1
SCHEMBL4284770 0.81 ALDH1A1 (0.41) KDM4EKMT2AMAPTCCR3ALDH1A1

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 2 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

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 760/4885RECQL 2926/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885RECQL 2926/4885KMT2A 1049/4885

“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.