SCHEMBL5583439

SCHEMBL5583439

COc1ncc(CN(Cc2cnc(OC)nc2OC)c2ccc3oc(C(=O)O)cc3c2)c(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
PTPN22 Q9Y2R2 11/20 0.43
OXTR P30559 2/20 0.41
PIM1 P11309 6/20 0.39
PIM2 Q9P1W9 4/20 0.39
PTPN1 P18031 3/20 0.38
PTPN12 Q05209 3/20 0.38

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
SCHEMBL211219 0.83 RAB9A (0.43) LMNATP53
SCHEMBL5583388 0.82 LMNA (0.45) LMNATP53PIM1PIM2
SCHEMBL5600184 0.72 TP53 (0.55) LMNATP53PTPN22PIM1PIM2
SCHEMBL6177556 0.68 PIM1 (0.51) LMNATP53PTPN22PIM1PIM2
SCHEMBL210033 0.67 HDAC1 (0.47) TP53
SCHEMBL29527237 0.65 KDM4E (0.66) LMNATP53PIM1
SCHEMBL335319 0.65 KDM4E (0.66) LMNATP53PIM1
SCHEMBL4805124 0.65 GAA (0.38)
Methylene Chloride SCHEMBL28849518 0.65 LMNA (0.62) LMNATP53PIM1
Hydrochloric Acid SCHEMBL11498190 0.64 KDM4E (0.64) LMNATP53PIM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 LMNA 1962/4885TP53 86/4885PTPN22 3421/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 LMNA 1851/4885TP53 115/4885PTPN22 2892/4885

“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.