SCHEMBL2479591

SCHEMBL2479591

CC(=O)C(N=Nc1ccccc1)C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
MAPT P10636 7/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TRPA1 O75762 1/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
F2 P00734 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL2479589 1.00 CYP1A2 (0.58) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10793988 0.92 CYP1A2 (0.54) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6953181 0.89 CYP1A2 (0.56) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6953177 0.89 CYP1A2 (0.56) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6953185 0.89 CYP1A2 (0.70) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL269514 0.83 MAPT (0.53) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2630510 0.83 MAPT (0.53) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8437177 0.83 ALDH1A1 (0.47) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8437175 0.83 ALDH1A1 (0.47) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11433045 0.83 CYP1A2 (0.61) CYP1A2MAPTNPC1RAB9ASMN1; SMN2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed
CN-108273478-A A kind of formaldehyde removing composition and product 李怀玉 2018-07-13 CN disclosed
US-8883935-B2 High refractive index composition BATTELLE MEMORIAL INSTITUTE (US) 2014-11-11 US disclosed
EP-2563826-A2 HIGH REFRACTIVE INDEX COMPOSITION Battelle Memorial Institute (US) 2013-03-06 EP disclosed
US-20130046054-A1 HIGH REFRACTIVE INDEX COMPOSITION BATTELLE MEMORIAL INSTITUTE (US) 2013-02-21 US 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
WO-2011139856-A2 HIGH REFRACTIVE INDEX COMPOSITION BATTELLE MEMORIAL INSTITUTE (US) 2011-11-10 WO 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
EP-0727421-A1 Agents for improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-21 EP disclosed
US-5026853-A Sleep and cardiovascular disorders JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-25 US disclosed
US-4968684-A N-ARYL-PIPERAZINEALKANAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-06 US disclosed
US-4880808-A SEDATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-14 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 CYP1A2 87/4885MAPT 2313/4885NPC1 2615/4885

“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.