SCHEMBL4328019

SCHEMBL4328019

CC(=O)Oc1ccccc1C(=O)Nc1cccc(C[N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
ALDH1A1 P00352 3/20 0.53
KCNK3 O14649 5/20 0.52
KCNK9 Q9NPC2 5/20 0.52
MAPK1 P28482 2/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
MLNR O43193 1/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
TP53 P04637 1/20 0.50
ADRB2 P07550 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50

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
SCHEMBL4322726 0.88 CA1 (0.58) KMT2AMEN1ALDH1A1MAPK1LMNA
SCHEMBL4338244 0.84 KMT2A (0.57) KMT2AMEN1KCNK3KCNK9MAPK1
SCHEMBL4335312 0.84 KMT2A (0.57) KMT2AMEN1KCNK3KCNK9MAPK1
SCHEMBL27886857 0.83 MEN1 (0.63) KMT2AMEN1ALDH1A1KCNK3KCNK9
SCHEMBL2703311 0.79 P2RX1 (0.63) KMT2AMEN1ALDH1A1KCNK3KCNK9
SCHEMBL4328024 0.79 PTGS2 (0.54) KMT2AALDH1A1LMNAMAPTCYP3A4
SCHEMBL4337324 0.79 HSD17B10 (0.52) KMT2AMEN1ALDH1A1MAPK1LMNA
SCHEMBL10192623 0.78 KMT2A (0.68) KMT2AMEN1ALDH1A1KCNK3KCNK9
SCHEMBL11590109 0.78 KCNK3 (0.68) KMT2AALDH1A1KCNK3KCNK9MAPK1
SCHEMBL2699624 0.78 KCNK3 (0.59) KMT2AMEN1KCNK3KCNK9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709155-B1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTPR LTD (KY) 2013-10-02 EP disclosed
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 KMT2A 4350/4885MEN1 1240/4885ALDH1A1 565/4885

“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.