SCHEMBL5208258

SCHEMBL5208258

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
PLA2G10 O15496 3/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BIRC2 Q13490 1/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.33
ADRA1A P35348 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL422584 0.84
SCHEMBL16329867 0.80 TAS1R3 (0.44) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL21134608 0.78 PLA2G10 (0.44) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL8804418 0.78 TSHR (0.52) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL8435786 0.76 TAS1R3 (0.45) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL5208329 0.75 TAS1R3 (0.38) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL8436466 0.75 MLYCD (0.41) ALDH1A1LMNAMEN1KMT2AMME
SCHEMBL5209645 0.74 TAS1R3 (0.38) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL25981318 0.74 DPP4 (0.44) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL15468318 0.72 MMP1 (0.38) TAS1R3TAS1R1MMP1MMP2MMP8

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-1272475-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2003-01-08 EP 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
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 TAS1R3 1425/4885TAS1R1 1133/4885CA12 3363/4885
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 TAS1R3 1737/4885TAS1R1 1487/4885CA12 3265/4885

“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.