SCHEMBL4283243

SCHEMBL4283243

CC(C)Oc1ccccc1OCC[C@@H]1CN(C(=O)O)CCN1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NISCH Q9Y2I1 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA4 P22748 4/20 0.36
CA9 Q16790 4/20 0.36
REN P00797 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 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
SCHEMBL4290889 0.88 KDM4E (0.43) KDM4EALDH1A1TDP1HTR7NPSR1
Hydrochloric Acid SCHEMBL4289621 0.87 LMNA (0.48) KDM4ELMNAALDH1A1TDP1NPSR1
Hydrochloric Acid SCHEMBL4294296 0.85 MAPT (0.47) KDM4ELMNAALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL4290963 0.84 KDM4E (0.43) KDM4EALDH1A1TDP1NPSR1REN
Hydrochloric Acid SCHEMBL4281883 0.82 NPC1 (0.43) KDM4EALDH1A1CA1CA2CA4
Hydrochloric Acid SCHEMBL4749978 0.82 MEN1 (0.43) KDM4EALDH1A1HTR1AHTR7MEN1
Hydrochloric Acid SCHEMBL4285513 0.82 MEN1 (0.43) KDM4EALDH1A1HTR1AHTR7MEN1
Hydrochloric Acid SCHEMBL4281545 0.82 RXRA (0.40) CA1CA2CA4CA9REN
SCHEMBL3493396 0.81 TEAD1 (0.46) KDM4EALDH1A1CA1CA2CA4
SCHEMBL4292768 0.80 MEN1 (0.38) LMNACA1CA2CA4CA9

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 760/4885LMNA 1785/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885LMNA 1785/4885ALDH1A1 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.