SCHEMBL5209480

SCHEMBL5209480

CCC(C)N(CC(C)C)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA1 P00915 4/20 0.38
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
PIK3CD O00329 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 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
SCHEMBL498168 0.83 CHRM1 (0.36) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL5209477 0.82 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL5207724 0.80 CA1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL497599 0.79 CA12 (0.33) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11534308 0.79 ALDH1A1 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL5206764 0.79 ALDH1A1 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL26894826 0.79 ALDH1A1 (0.33) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL23717177 0.77 LMNA (0.38) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11531215 0.77 ALDH1A1 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL14520453 0.77 CA1 (0.42) MAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958292-B1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AG (DE) 2007-01-03 EP disclosed
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-08-28 US disclosed
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 US disclosed
EP-1272476-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2003-01-08 EP disclosed
EP-1272475-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2003-01-08 EP disclosed
WO-2001079183-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed
WO-2001079182-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 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 (2 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-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 ALDH1A1 439/4885LMNA 4129/4885MAPT 3844/4885
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 ALDH1A1 768/4885LMNA 4264/4885MAPT 4097/4885

“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.