SCHEMBL4288465

SCHEMBL4288465

CC1(C)Cc2cccc(OCC[C@@H]3CN(C(=O)O)CCN3)c2O1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.43

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
SCHEMBL4286594 0.83 LMNA (0.50) LMNAMEN1KMT2AGAAALDH1A1
SCHEMBL4301418 0.80 FFAR4 (0.37) LMNAMEN1KMT2AGAA
SCHEMBL4290342 0.79 KDM4E (0.39) MEN1KMT2AGAAALDH1A1NPC1
SCHEMBL4290889 0.78 KDM4E (0.43) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL4290277 0.77 CCR3 (0.39) LMNA
SCHEMBL4752929 0.77 CCR3 (0.39) LMNA
SCHEMBL4292768 0.77 MEN1 (0.38) LMNAMEN1KMT2A
SCHEMBL4282069 0.77 ALDH1A1 (0.39) LMNAMEN1KMT2AGAAALDH1A1
SCHEMBL4753485 0.77 MEN1 (0.38) LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL4290963 0.77 KDM4E (0.43) MEN1KMT2AALDH1A1

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 LMNA 1785/4885MEN1 1254/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LMNA 1785/4885MEN1 1254/4885KMT2A 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.