SCHEMBL5208550

SCHEMBL5208550

[CH2]C(=O)NCCCC(C)CC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EPHX1 P07099 6/20 0.35
USP2 O75604 2/20 0.34
TSHR P16473 1/20 0.34
DPP7 Q9UHL4 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GAA P10253 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8435121 0.88 USP2 (0.37) USP2TSHRHRH4HRH3GAA
SCHEMBL14492895 0.82 KDM4E (0.54) MEN1KMT2AEPHX1USP2TSHR
SCHEMBL23901022 0.82 CYP2D6 (0.41) MEN1KMT2AEPHX1USP2TSHR
SCHEMBL4761459 0.82 KDM4E (0.54) MEN1KMT2AEPHX1USP2TSHR
SCHEMBL5209614 0.81 BLM (0.38) MEN1KMT2AEPHX1DPP7HRH3
SCHEMBL5210948 0.81 MEN1 (0.42) MEN1KMT2AEPHX1USP2TSHR
SCHEMBL13056218 0.80 DPP7 (0.38) MEN1KMT2AEPHX1USP2TSHR
SCHEMBL23710264 0.80 DPP7 (0.38) MEN1KMT2AEPHX1USP2TSHR
SCHEMBL18829056 0.80 MEN1 (0.61) MEN1KMT2ASMN1; SMN2
SCHEMBL18603128 0.78 EPHX1 (0.55) MEN1KMT2AEPHX1HRH4HRH3

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 12 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
WO-2001079183-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
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP 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 MEN1 4787/4885KMT2A 3020/4885EPHX1 792/4885
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 MEN1 4829/4885KMT2A 2446/4885EPHX1 686/4885

“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.