SCHEMBL4675684

SCHEMBL4675684

O=C(O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 9/20 0.56
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
DCTPP1 Q9H773 4/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MCHR1 Q99705 6/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.42
PKM P14618 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
SCHEMBL14282305 0.92 NPBWR1 (0.54) NPBWR1ALDH1A1SMN1; SMN2DCTPP1RXFP1
SCHEMBL14282281 0.92 NPBWR1 (0.57) NPBWR1ALDH1A1SMN1; SMN2DCTPP1RXFP1
SCHEMBL14282313 0.91 NPBWR1 (0.52) NPBWR1ALDH1A1SMN1; SMN2DCTPP1RXFP1
SCHEMBL14282320 0.90 NPBWR1 (0.54) NPBWR1ALDH1A1SMN1; SMN2DCTPP1RXFP1
SCHEMBL14282240 0.89 NPBWR1 (0.53) NPBWR1ALDH1A1SMN1; SMN2DCTPP1RXFP1
SCHEMBL14221283 0.88 NPBWR1 (0.52) NPBWR1ALDH1A1SMN1; SMN2DCTPP1RXFP1
SCHEMBL4672349 0.88 NPBWR1 (0.52) NPBWR1ALDH1A1SMN1; SMN2DCTPP1RXFP1
SCHEMBL4939426 0.88 NPBWR1 (0.52) NPBWR1ALDH1A1SMN1; SMN2DCTPP1RXFP1
SCHEMBL14005327 0.88 NPBWR1 (0.61) NPBWR1ALDH1A1SMN1; SMN2DCTPP1RXFP1
SCHEMBL14282303 0.88 NPBWR1 (0.52) NPBWR1ALDH1A1SMN1; SMN2DCTPP1RXFP1

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
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-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-05 US 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 4199/4885ALDH1A1 655/4885SMN1; SMN2 1763/4885

“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.