SCHEMBL5442095

SCHEMBL5442095

CCOC(=O)c1ccc(N2NC(=O)C(=Cc3cccnc3)C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.58
▸ MEN1 O00255 6/20 0.58
▸ POLB P06746 5/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ MAPT P10636 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ GAA P10253 7/20 0.50
▸ PSMD14 O00487 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ TSHR P16473 2/20 0.45
▸ ABL1 P00519 2/20 0.45
▸ SRC P12931 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ CASP6 P55212 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5442110 1.00 KMT2A (0.58) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL5454199 0.87 KMT2A (0.62) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL5454202 0.87 KMT2A (0.62) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL14444419 0.83 KMT2A (0.61) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL13056449 0.82 KMT2A (0.60) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL5444385 0.81 GAA (0.68) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL5444388 0.81 GAA (0.68) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL14444650 0.80 KMT2A (0.58) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL12632696 0.80 KMT2A (0.58) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL5452845 0.80 KMT2A (0.55) KMT2AMEN1POLBALDH1A1MAPT

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-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 — — US claimed
CN-1812782-A Pyrazolidinedione derivatives and their use as platelet aggregation inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2006-08-02 — — CN claimed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 — — US disclosed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 — — US disclosed
CN-1812782-A Pyrazolidinedione derivatives and their use as platelet aggregation inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2006-08-02 — — CN 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 2963/4885POLB 4499/4885

“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.

Send feedback