SCHEMBL4779571

SCHEMBL4779571

O=c1c(Oc2ccc(-c3ccccc3)cc2)c(N2CCNCC2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.58
MCHR1 Q99705 6/20 0.50
NPSR1 Q6W5P4 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LTA4H P09960 3/20 0.48
CETP P11597 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44
HTR3A P46098 1/20 0.44
HTR5A P47898 1/20 0.44
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4649285 0.91 NPBWR1 (0.53) NPBWR1MCHR1NPSR1CYP1A2CYP3A4
SCHEMBL14282280 0.91 NPBWR1 (0.53) NPBWR1MCHR1NPSR1LTA4HHTR1A
SCHEMBL14282365 0.90 MCHR1 (0.59) NPBWR1MCHR1NPSR1CYP1A2CYP3A4
SCHEMBL14282253 0.89 NPBWR1 (0.59) NPBWR1MCHR1NPSR1CYP1A2CYP3A4
SCHEMBL4670265 0.89 NPBWR1 (0.59) NPBWR1MCHR1NPSR1CYP1A2CYP3A4
SCHEMBL14282426 0.88 NPBWR1 (0.55) NPBWR1MCHR1CYP1A2LTA4HHTR1A
SCHEMBL14282260 0.88 NPBWR1 (0.58) NPBWR1MCHR1NPSR1CYP1A2CYP3A4
SCHEMBL14005327 0.88 NPBWR1 (0.61) NPBWR1MCHR1NPSR1CYP1A2CYP3A4
SCHEMBL4673104 0.88 NPBWR1 (0.56) NPBWR1MCHR1NPSR1CYP1A2CYP3A4
SCHEMBL14282425 0.87 NPBWR1 (0.46) NPBWR1MCHR1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080292547-A1 Novel Imaging Agents for Fibrosis TOLLESHAUG HELGE 2008-11-27 US disclosed
US-20080292547-A1 Novel Imaging Agents for Fibrosis TOLLESHAUG HELGE 2008-11-27 US disclosed
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
WO-2007066119-A2 NOVEL IMAGING AGENTS FOR FIBROSIS GE HEALTHCARE LIMITED (GB) 2007-06-14 WO 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 (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-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones PIR, TPMT, PNPO NPBWR1 4199/4885MCHR1 4400/4885NPSR1 2302/4885
US-20080292547-A1 Novel Imaging Agents for Fibrosis LOXL1, LOXL2, LOXL3 NPBWR1 733/4885MCHR1 1304/4885NPSR1 700/4885

“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.