SCHEMBL4649285

SCHEMBL4649285

O=c1c(Oc2ccc(-c3ccc(F)cc3)cc2)c(N2CCNCC2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.53
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MCHR1 Q99705 7/20 0.53
LTA4H P09960 2/20 0.47
HTR1A P08908 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTR7 P34969 2/20 0.43
HTR2B P41595 2/20 0.43
HTR6 P50406 2/20 0.43
HTR2A P28223 1/20 0.43
HTR3A P46098 1/20 0.43
HTR5A P47898 1/20 0.43
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 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
SCHEMBL4779571 0.91 NPBWR1 (0.58) NPBWR1ALDH1A1NPSR1MCHR1LTA4H
SCHEMBL14282366 0.90 NPBWR1 (0.51) NPBWR1ALDH1A1NPSR1MCHR1HTR1A
SCHEMBL14282280 0.90 NPBWR1 (0.53) NPBWR1ALDH1A1NPSR1MCHR1LTA4H
SCHEMBL14282443 0.90 MCHR1 (0.47) NPBWR1ALDH1A1NPSR1MCHR1LTA4H
SCHEMBL4670687 0.90 MCHR1 (0.61) NPBWR1ALDH1A1NPSR1MCHR1CYP1A2
SCHEMBL14282372 0.89 NPBWR1 (0.48) NPBWR1ALDH1A1NPSR1MCHR1LTA4H
SCHEMBL4673910 0.88 NPBWR1 (0.52) NPBWR1ALDH1A1NPSR1MCHR1HTR1A
SCHEMBL14282426 0.87 NPBWR1 (0.55) NPBWR1ALDH1A1MCHR1LTA4HHTR1A
SCHEMBL4670163 0.87 NPBWR1 (0.53) NPBWR1ALDH1A1NPSR1MCHR1CYP1A2
SCHEMBL14282445 0.87 MCHR1 (0.50) NPBWR1ALDH1A1NPSR1MCHR1

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-20080292547-A1 Novel Imaging Agents for Fibrosis TOLLESHAUG HELGE 2008-11-27 US disclosed
EP-1962911-A2 NOVEL IMAGING AGENTS FOR FIBROSIS GE Healthcare Limited (GB) 2008-09-03 EP disclosed
WO-2007066119-A2 NOVEL IMAGING AGENTS FOR FIBROSIS GE HEALTHCARE LIMITED (GB) 2007-06-14 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-20080292547-A1 Novel Imaging Agents for Fibrosis LOXL1, LOXL2, LOXL3 NPBWR1 733/4885ALDH1A1 845/4885NPSR1 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.