SCHEMBL4585449

SCHEMBL4585449

O=C(O)N(CCOc1ccc(I)cc1)C[C@@H](O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
APP P05067 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
AOC3 Q16853 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
ATM Q13315 1/20 0.36
FDPS P14324 1/20 0.36

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
SCHEMBL4585446 1.00 MEN1 (0.57) MEN1KMT2AKDM4ELMNAMAPK1
SCHEMBL4583951 0.89 KMT2A (0.54) MEN1KMT2AKDM4EAOC3
SCHEMBL4583955 0.89 KMT2A (0.54) MEN1KMT2AKDM4EAOC3
SCHEMBL4585166 0.86 MEN1 (0.50) MEN1KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL4585162 0.86 MEN1 (0.50) MEN1KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL5703818 0.85 MEN1 (0.51) MEN1KMT2AKDM4ELMNAMAPK1
SCHEMBL4584463 0.84 KCNH2 (0.49) MEN1KMT2ALMNA
SCHEMBL4584459 0.84 KCNH2 (0.49) MEN1KMT2ALMNA
SCHEMBL1622181 0.75 MEN1 (0.50) MEN1KMT2AKDM4E
SCHEMBL18261027 0.74 POLB (0.44) MEN1KMT2AKDM4EAPP

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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 (1 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 MEN1 4146/4885KMT2A 630/4885KDM4E 1697/4885

“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.