SCHEMBL509853

SCHEMBL509853

CCc1cc(C)cc(CC)c1CC#N

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL509543 0.83 CYP2A6 (0.35) ALDH1A1MAPTHTTGAAPOLB
SCHEMBL28670458 0.80 KMT2A (0.31) ALDH1A1HTTGAAKMT2A
SCHEMBL24180252 0.78 THRB (0.32) THRBALDH1A1MAPTHTTGAA
SCHEMBL3025730 0.76 DHFR (0.36) ALDH1A1MAPTHTTGAAKMT2A
SCHEMBL20562529 0.75 ALDH1A1 (0.33) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL1022724 0.75 ATM (0.38) THRBALDH1A1GAAPOLBKMT2A
SCHEMBL28625936 0.74 ALOX15 (0.33) ALDH1A1MAPTHTT
SCHEMBL1262846 0.73 KMT2A (0.36) ALDH1A1MAPTHTTGAAKMT2A
SCHEMBL16883661 0.73 KDM4E (0.41) ALDH1A1MAPTHTTGAAKMT2A
SCHEMBL7565719 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2406232-A1 PYRIDAZINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-01-18 EP disclosed
WO-2010104217-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 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-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 THRB 1681/4885ALDH1A1 1534/4885MAPT 4297/4885

“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.