Sugi Predict

Sugi Predict / Compounds / SCHEMBL2501337

SCHEMBL2501337

SCHEMBL2501337

CN(C)/C=C/C(=O)c1nn(-c2cccc(S(=O)(=O)C(F)(F)F)c2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.35

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
SCHEMBL2501340 1.00 KMT2A (0.43) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL2498566 0.89 KMT2A (0.47) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL2498571 0.89 KMT2A (0.47) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL2501209 0.88 KDM4E (0.44) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL2501205 0.88 KDM4E (0.44) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL2750666 0.87 KMT2A (0.46) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL2473160 0.87 KMT2A (0.46) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL2474934 0.85 KMT2A (0.44) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL2749640 0.85 KMT2A (0.44) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL519218 0.85 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1MAPTPOLB

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 11 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
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-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 — — US 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
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 — — US 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
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 1741/4885ALDH1A1 251/4885

“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.