SCHEMBL5454818

SCHEMBL5454818

O=C1NN(c2ccccc2)C(=O)C1=Cc1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.71
MEN1 O00255 6/20 0.71
ABL1 P00519 2/20 0.59
SRC P12931 2/20 0.59
GAA P10253 7/20 0.59
POLB P06746 5/20 0.59
ALDH1A1 P00352 6/20 0.56
MAPT P10636 5/20 0.56
KDM4E B2RXH2 1/20 0.55
NR1H4 Q96RI1 3/20 0.54
ARHGEF12 Q9NZN5 1/20 0.54
LMNA P02545 2/20 0.53
PKM P14618 2/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GFER P55789 1/20 0.52
NPC1 O15118 1/20 0.51
DYRK1A Q13627 1/20 0.51

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
SCHEMBL5454817 1.00 KMT2A (0.71) KMT2AMEN1ABL1SRCGAA
SCHEMBL2398010 0.80 KMT2A (0.74) KMT2AMEN1ABL1SRCGAA
SCHEMBL196142 0.80 KMT2A (0.74) KMT2AMEN1ABL1SRCGAA
SCHEMBL12267471 0.80 KMT2A (0.74) KMT2AMEN1ABL1SRCGAA
SCHEMBL5445737 0.77 POLB (0.67) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL5445740 0.77 POLB (0.67) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL5455280 0.77 KMT2A (0.74) KMT2AMEN1ABL1SRCGAA
SCHEMBL5455273 0.77 KMT2A (0.74) KMT2AMEN1ABL1SRCGAA
SCHEMBL5453405 0.76 KMT2A (0.68) KMT2AMEN1ABL1SRCGAA
SCHEMBL5453408 0.76 KMT2A (0.68) KMT2AMEN1ABL1SRCGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007506661-A 2007-03-22 JP claimed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US claimed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP claimed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 WO claimed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US disclosed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP disclosed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 KMT2A 4413/4885MEN1 2963/4885ABL1 1666/4885

“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.