SCHEMBL4328629

SCHEMBL4328629

COc1ccc(/C=C/C(=O)Oc2ccc(CO[N+](=O)[O-])cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
GSK3B P49841 3/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
F3 P13726 2/20 0.49
BACE1 P56817 2/20 0.48
THRB P10828 1/20 0.48
ATM Q13315 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL4335303 1.00 MAPT (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13242621 0.90 CA12 (0.50) MAPTMEN1KMT2AGSK3BMAOB
SCHEMBL2997666 0.87 KDM4E (0.58) MAPTKMT2ANPC1RAB9AGSK3B
SCHEMBL2997672 0.87 KDM4E (0.58) MAPTKMT2ANPC1RAB9AGSK3B
SCHEMBL13242546 0.85 CA12 (0.58) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13704175 0.85 BACE1 (0.53) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL4322780 0.85 KMT2A (0.49) MAPTMEN1KMT2ABACE1LMNA
SCHEMBL4330721 0.85 KMT2A (0.49) MAPTMEN1KMT2ABACE1LMNA
SCHEMBL4328627 0.83 MMP1 (0.66) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2995205 0.83 TTR (0.54) MAPTMEN1KMT2AEGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585997-B2 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTERPRISES LIMITED (KY) 2009-09-08 US disclosed
EP-1709155-A4 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2007-10-31 EP disclosed
EP-1709155-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF Kashfi, Khosrow (US) 2006-10-11 EP disclosed
US-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CONVERSANT INTELLECTUAL PROPERTY MANAGEMENT INC. (CA) 2005-08-18 US disclosed
WO-2005065361-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2005-07-21 WO 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-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof PYGL, TP53, MKI67 MAPT 2994/4885MEN1 1240/4885KMT2A 4350/4885

“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.