SCHEMBL2748949

SCHEMBL2748949

CON(C)C(=O)c1nn(-c2cccc(S(C)(=O)=O)c2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
POLB P06746 3/20 0.43
CYP2C9 P11712 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 2/20 0.38
HSD11B1 P28845 1/20 0.36
KCNH2 Q12809 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
SCHEMBL359590 0.83 KMT2A (0.50) ALDH1A1KMT2AMEN1GAACA12
SCHEMBL518791 0.81 KMT2A (0.60) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL2498571 0.80 KMT2A (0.47) ALDH1A1KMT2AMEN1GAACA12
SCHEMBL2498566 0.80 KMT2A (0.47) ALDH1A1KMT2AMEN1GAACA12
SCHEMBL2475132 0.79 KMT2A (0.51) ALDH1A1KMT2AMEN1GAACA12
SCHEMBL2748947 0.79 CA12 (0.49) ALDH1A1KMT2AMEN1GAACA12
SCHEMBL2498174 0.78 KMT2A (0.49) ALDH1A1KMT2AMEN1GAACA12
SCHEMBL2500947 0.76 KMT2A (0.43) ALDH1A1KMT2AMEN1GAACA12
SCHEMBL2220616 0.76 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL14237466 0.75 KMT2A (0.44) ALDH1A1KMT2AMEN1GAACA12

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
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
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US 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 ALDH1A1 251/4885KMT2A 2667/4885MEN1 1741/4885

“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.