SCHEMBL509442

SCHEMBL509442

CCc1cc(CC)c(CCl)c(CC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
DHFR P00374 1/20 0.33
PTGS2 P35354 1/20 0.33
AKT1 P31749 1/20 0.33
BACE1 P56817 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
TP53 P04637 1/20 0.31
MGLL Q99685 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
TRPA1 O75762 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
SCHEMBL8734181 0.90 HSPA5 (0.35) HSPA5MEN1GAAKMT2APTGS2
SCHEMBL1760666 0.81 DHFR (0.44) HSPA5MEN1GAAKMT2ADHFR
SCHEMBL509831 0.80 KMT2A (0.35) GAAKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL11812535 0.79 ALDH1A1 (0.41) MEN1GAAKMT2AGRIN2DGRIN3B
SCHEMBL18242007 0.77 HSPA5 (0.36) HSPA5MEN1GAAKMT2ADHFR
SCHEMBL20669667 0.77 PTGS2 (0.34) PTGS2TP53TRPA1
SCHEMBL29083585 0.76 AKT1 (0.33) HSPA5MEN1GAAKMT2APTGS2
SCHEMBL18378504 0.75 HSPA5 (0.35) HSPA5MEN1GAAKMT2ADHFR
SCHEMBL509610 0.75 HSPA5 (0.35) HSPA5MEN1GAAKMT2ADHFR
SCHEMBL27726732 0.75 BACE1 (0.39) 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 3 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

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 HSPA5 2446/4885MEN1 806/4885GAA 4766/4885

“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.