SCHEMBL509543

SCHEMBL509543

CCc1cc(CC)c(CC#N)c(CC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
HSPA5 P11021 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
DHFR P00374 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
POLB P06746 1/20 0.31
MMP3 P08254 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGS2 P35354 1/20 0.30
HTT P42858 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
SCHEMBL509853 0.83 THRB (0.34) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL5201126 0.77 KDM4E (0.43) CYP2A6MEN1KMT2AALDH1A1MAPT
SCHEMBL1760666 0.76 DHFR (0.44) CYP2A6HSPA5MEN1GAAKMT2A
SCHEMBL11073978 0.75 CYP2A6 (0.42) CYP2A6DHFRALDH1A1MAPTPOLB
SCHEMBL28068652 0.73 CYP2A6 (0.43) CYP2A6HSPA5MEN1GAAKMT2A
SCHEMBL1823375 0.72 DHFR (0.39) CYP2A6KMT2ADHFRALDH1A1MAPT
SCHEMBL18242007 0.72 HSPA5 (0.36) CYP2A6HSPA5MEN1GAAKMT2A
SCHEMBL20562529 0.71 ALDH1A1 (0.33) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2228767 0.71 HSPA5 (0.39) CYP2A6HSPA5MEN1GAAKMT2A
SCHEMBL509610 0.70 HSPA5 (0.35) HSPA5MEN1GAAKMT2ADHFR

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
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
CN-102421759-A Pyridazinone compounds and use thereof SUMITOMO CHEMICAL CO 2012-04-18 CN 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 CYP2A6 8/4885HSPA5 2446/4885MEN1 806/4885

“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.