SCHEMBL7020529

SCHEMBL7020529

COC(=O)C(Cl)=Cc1cc(-n2ncc(C(F)(F)F)cc2=O)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 4/20 0.37
CCR1 P32246 2/20 0.37
MCHR1 Q99705 3/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
NTRK1 P04629 1/20 0.36
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
NOTUM Q6P988 1/20 0.33
HPGD P15428 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
SCHEMBL7093008 0.89 ALDH1A1 (0.45) NPBWR1CCR1MCHR1MAPTHTT
SCHEMBL7014533 0.89 ALDH1A1 (0.45) NPBWR1CCR1MCHR1MAPTHTT
SCHEMBL7094405 0.87 ALDH1A1 (0.34) NPBWR1CCR1MCHR1MAPTNTRK1
SCHEMBL7092603 0.82 NPBWR1 (0.38) NPBWR1CCR1MCHR1MAPTNTRK1
SCHEMBL7023491 0.82 NPBWR1 (0.38) NPBWR1CCR1MCHR1MAPTNTRK1
SCHEMBL7930428 0.74 ALPL (0.35) CCR1KDM4EALDH1A1LMNANOTUM
SCHEMBL7930426 0.74 ALPL (0.35) CCR1KDM4EALDH1A1LMNANOTUM
SCHEMBL6177069 0.74 MAPK1 (0.46) MAPTKDM4EHTTMAPK1ALDH1A1
SCHEMBL6177066 0.74 MAPK1 (0.46) MAPTKDM4EHTTMAPK1ALDH1A1
SCHEMBL7018209 0.73 ALDH1A1 (0.38) NPBWR1CCR1MCHR1MAPTHTT

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-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

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-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 NPBWR1 371/4885CCR1 373/4885MCHR1 1187/4885

“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.