SCHEMBL2500947

SCHEMBL2500947

CC/C(=C\N(C)C)C(=O)c1nn(-c2cccc(S(C)(=O)=O)c2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 2/20 0.40
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
KCNH2 Q12809 3/20 0.35
DRD2 P14416 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2498571 0.81 KMT2A (0.47) KMT2AMEN1CA12CA1CA2
SCHEMBL2498566 0.81 KMT2A (0.47) KMT2AMEN1CA12CA1CA2
SCHEMBL2498174 0.78 KMT2A (0.49) KMT2AMEN1CA12CA1CA2
SCHEMBL2475132 0.77 KMT2A (0.51) KMT2AMEN1CA12CA1CA2
SCHEMBL2748949 0.76 ALDH1A1 (0.50) KMT2AMEN1CA12CA1CA2
SCHEMBL2479050 0.74 MEN1 (0.43) KMT2AMEN1CA12CA1CA2
SCHEMBL2750760 0.74 MEN1 (0.43) KMT2AMEN1CA12CA1CA2
SCHEMBL14237466 0.73 KMT2A (0.44) KMT2AMEN1CA12CA1CA2
SCHEMBL2748947 0.73 CA12 (0.49) KMT2AMEN1CA12CA1CA2
SCHEMBL2473160 0.73 KMT2A (0.46) KMT2AMEN1CA12CA1CA2

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
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 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-20100152193-A1 PYRIDAZINONES PDE5A, PDE3A, PDE10A KMT2A 2667/4885MEN1 1741/4885CA12 4393/4885

“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.