SCHEMBL5455707

SCHEMBL5455707

O=C1CC(=O)N(c2ccccc2Cl)N1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.51
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MGLL Q99685 1/20 0.43
ADRB1 P08588 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.37
NOTUM Q6P988 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL10868664 0.83 ALOX5 (0.49) ALOX5MAPTALDH1A1POLBMGLL
SCHEMBL5444371 0.79 MAPT (0.58) ALOX5MAPTALDH1A1POLBGAA
SCHEMBL10429462 0.74 MAPT (0.67) ALOX5MAPTPOLBMGLLMEN1
SCHEMBL3043229 0.73 GAA (0.64) ALOX5MAPTALDH1A1POLBGAA
SCHEMBL7309592 0.70 MEN1 (0.56) ALOX5MAPTALDH1A1POLBGAA
SCHEMBL18841381 0.70 ALDH1A1 (0.55) MAPTALDH1A1POLBGAAADRB1
SCHEMBL11133610 0.69 HPGD (0.62) MAPTALDH1A1POLBGAAMGLL
SCHEMBL8117328 0.68 MAPT (0.61) ALOX5MAPTALDH1A1POLBGAA
SCHEMBL31021926 0.68 ALOX5 (1.00) ALOX5MAPTALDH1A1GAAMGLL
SCHEMBL5738842 0.68 GAA (0.53) ALOX5MAPTALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2005002574-A1 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2005-01-13 WO 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 ALOX5 270/4885MAPT 4597/4885ALDH1A1 1198/4885

“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.