SCHEMBL3756341

SCHEMBL3756341

O=C(O)COc1ccc(C=Nc2ccc(I)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
CASP3 P42574 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
PLEC Q15149 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
PTPN12 Q05209 2/20 0.45
ALOX15 P16050 1/20 0.45
CA12 O43570 1/20 0.44

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
SCHEMBL3756338 1.00 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL2876298 0.87 ALOX15 (0.58) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL2876296 0.87 ALOX15 (0.58) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL918950 0.86 KMT2A (0.50) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL919906 0.86 POLB (0.51) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL2078910 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL918951 0.86 KMT2A (0.50) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL919905 0.86 POLB (0.51) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL11749888 0.86 CA2 (0.61) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL2078912 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EL3MBTL1MEN1

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-7842684-B2 2-azetidinone derivatives such as N-({4-[(2R,3R)-3-{[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]thio}-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenoxy}acetyl)glycyl-3-cyclohexyl-D-alanine, used for the treatment of hyperlipemia ASTRAZENECA AB (SE) 2010-11-30 US disclosed
US-20090069285-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitor Activity ASTRAZENECA AB (SE) 2009-03-12 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-20090069285-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitor Activity CYP46A1, NPC1L1, NPC1 ALDH1A1 1232/4885KMT2A 1369/4885KDM4E 1492/4885

“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.