SCHEMBL4673104

SCHEMBL4673104

O=c1c(Oc2ccc(Br)cc2)c(N2CCNCC2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 17/20 0.56
MCHR1 Q99705 11/20 0.52
LTA4H P09960 2/20 0.50
NPSR1 Q6W5P4 3/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL14282222 0.88 NPBWR1 (0.53) NPBWR1MCHR1NPSR1ALDH1A1CYP1A2
SCHEMBL4779571 0.88 NPBWR1 (0.58) NPBWR1MCHR1LTA4HNPSR1ALDH1A1
SCHEMBL4649285 0.87 NPBWR1 (0.53) NPBWR1MCHR1LTA4HNPSR1ALDH1A1
SCHEMBL14282280 0.87 NPBWR1 (0.53) NPBWR1MCHR1LTA4HNPSR1ALDH1A1
SCHEMBL14221012 0.85 NPBWR1 (0.54) NPBWR1MCHR1NPSR1ALDH1A1CYP1A2
SCHEMBL14221278 0.85 NPBWR1 (0.54) NPBWR1MCHR1NPSR1ALDH1A1CYP1A2
SCHEMBL14282426 0.84 NPBWR1 (0.55) NPBWR1MCHR1LTA4HALDH1A1CYP1A2
SCHEMBL14282230 0.84 NPBWR1 (0.53) NPBWR1MCHR1NPSR1ALDH1A1CYP1A2
SCHEMBL14282223 0.84 NPBWR1 (0.55) NPBWR1MCHR1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL14282224 0.84 ALDH1A1 (0.56) NPBWR1MCHR1NPSR1ALDH1A1CYP1A2

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 7 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
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 4199/4885MCHR1 4400/4885LTA4H 1558/4885

“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.