SCHEMBL4728501

SCHEMBL4728501

O=C1OC(Cl)(c2cccc(C(F)(F)F)c2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
CFTR P13569 1/20 0.43
GOPC Q9HD26 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 1/20 0.43
CHRM5 P08912 3/20 0.42
TP53 P04637 1/20 0.42
NPY5R Q15761 3/20 0.41
MAPT P10636 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ADORA2A P29274 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 2/20 0.39
MAOB P27338 1/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL4726524 0.81 CFTR (0.46) HCAR2CFTRGOPCNPSR1LMNA
SCHEMBL4726170 0.78 CFTR (0.61) CFTRGOPCNPSR1LMNATP53
SCHEMBL11472178 0.77 MAOB (0.43) HCAR3HCAR2CHRM5MAPTADORA2A
SCHEMBL1823331 0.73 CFTR (0.46) CFTRGOPCNPSR1LMNATP53
SCHEMBL1820782 0.71 CYP2D6 (0.48) CFTRGOPCNPSR1LMNATP53
SCHEMBL7310701 0.70 PDK2 (0.47) CHRM5KDM1A
SCHEMBL4727744 0.69 CFTR (0.44) HCAR2CFTRGOPCNPSR1LMNA
SCHEMBL14939165 0.69 MAPT (0.49) HCAR3HCAR2CHRM5MAPTADORA2A
SCHEMBL6259983 0.68 MAPT (0.46) CFTRGOPCNPSR1LMNATP53
SCHEMBL10606661 0.65 MRGPRX4 (0.41) TP53NPY5RMAPT

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
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-4505921-A Sulfonylurea compounds and their use in treating diabetes ADIR, S.A.R.L. (FR) 1985-03-19 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN HCAR3 1466/4885HCAR2 1759/4885CFTR 3670/4885

“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.