SCHEMBL5455720

SCHEMBL5455720

O=C(O)CC(=O)NNc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.61
LMNA P02545 3/20 0.61
ALDH1A1 P00352 6/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
P2RX7 Q99572 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALOX5 P09917 1/20 0.44
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
GFER P55789 1/20 0.43
CA4 P22748 2/20 0.42

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
SCHEMBL21055737 0.82 ALOX5 (0.63) GAALMNAALDH1A1CYP3A4ALOX12
SCHEMBL5444741 0.81 GAA (0.68) GAALMNAALDH1A1MAPTHPGD
SCHEMBL5451366 0.81 PTGS2 (0.56) GAALMNAALDH1A1CYP3A4TDP1
Hydrochloric Acid SCHEMBL28067312 0.80 ALOX5 (0.61) GAALMNAALDH1A1CYP3A4ALOX12
SCHEMBL105772 0.80 GAA (0.63) GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL20984261 0.77 GAA (0.62) GAALMNAALDH1A1CYP1A2CYP3A4
SCHEMBL5446840 0.77 PTGS2 (0.59) GAAALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL5454793 0.77 SAE1 (0.46) GAALMNAALDH1A1MAPTKDM4E
SCHEMBL28579022 0.75 GAA (0.51) GAALMNAALDH1A1CYP1A2CYP3A4
SCHEMBL30442012 0.74 GAA (0.57) GAALMNAALDH1A1CYP1A2CYP3A4

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-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 GAA 3492/4885LMNA 2912/4885ALDH1A1 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.