SCHEMBL4670163

SCHEMBL4670163

O=c1c(Oc2ccc(-c3ccc(F)cc3)cc2)c(N2CCC(Cl)CC2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 17/20 0.53
NPSR1 Q6W5P4 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MCHR1 Q99705 10/20 0.52
SCN9A Q15858 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4673592 0.91 NPBWR1 (0.53) NPBWR1NPSR1ALDH1A1MCHR1SCN9A
SCHEMBL14282447 0.90 NPBWR1 (0.50) NPBWR1NPSR1ALDH1A1MCHR1SMN1; SMN2
SCHEMBL4670687 0.89 MCHR1 (0.61) NPBWR1NPSR1ALDH1A1MCHR1CYP1A2
SCHEMBL4939044 0.89 NPBWR1 (0.51) NPBWR1NPSR1ALDH1A1MCHR1
SCHEMBL4649285 0.87 NPBWR1 (0.53) NPBWR1NPSR1ALDH1A1MCHR1CYP1A2
SCHEMBL4670155 0.87 NPBWR1 (0.51) NPBWR1NPSR1ALDH1A1MCHR1
SCHEMBL14029986 0.85 NPBWR1 (0.52) NPBWR1NPSR1ALDH1A1MCHR1CYP1A2
SCHEMBL4670320 0.85 NPBWR1 (0.57) NPBWR1NPSR1ALDH1A1MCHR1CYP1A2
SCHEMBL14220863 0.83 NPBWR1 (0.52) NPBWR1NPSR1ALDH1A1MCHR1CYP1A2
SCHEMBL14282400 0.83 NPBWR1 (0.51) NPBWR1NPSR1ALDH1A1MCHR1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497269-B1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2008-04-23 EP disclosed
EP-1497269-B1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2008-04-23 EP disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed
US-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-05 US disclosed
EP-1497269-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES Bayer HealthCare AG (DE) 2005-01-19 EP disclosed
WO-2003097612-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2003-11-27 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-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones PIR, TPMT, PNPO NPBWR1 4199/4885NPSR1 2302/4885ALDH1A1 655/4885

“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.