SCHEMBL2501209

SCHEMBL2501209

CN(C)C=CC(=O)c1nn(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2C9 P11712 1/20 0.39
UBE2N P61088 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
RXFP1 Q9HBX9 2/20 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
SCHEMBL2501205 1.00 KDM4E (0.44) KDM4EL3MBTL1ALDH1A1KMT2APOLB
SCHEMBL2501337 0.88 KMT2A (0.43) ALDH1A1KMT2APOLBGAAMAPT
SCHEMBL2501340 0.88 KMT2A (0.43) ALDH1A1KMT2APOLBGAAMAPT
SCHEMBL519022 0.88 KMT2A (0.46) KDM4EL3MBTL1ALDH1A1KMT2APOLB
SCHEMBL519023 0.88 KMT2A (0.46) KDM4EL3MBTL1ALDH1A1KMT2APOLB
SCHEMBL519512 0.84 UBE2N (0.54) KDM4EL3MBTL1ALDH1A1KMT2APOLB
SCHEMBL519511 0.84 UBE2N (0.54) KDM4EL3MBTL1ALDH1A1KMT2APOLB
SCHEMBL2476915 0.84 ALDH1A1 (0.48) KDM4EL3MBTL1ALDH1A1KMT2APOLB
SCHEMBL2750262 0.84 ALDH1A1 (0.48) KDM4EL3MBTL1ALDH1A1KMT2APOLB
SCHEMBL518577 0.83 KMT2A (0.61) KDM4EL3MBTL1ALDH1A1KMT2APOLB

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 KDM4E 824/4885L3MBTL1 4218/4885ALDH1A1 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.