SCHEMBL4729629

SCHEMBL4729629

O=C1OC(Cl)(c2ccccc2)c2cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
HSP90AA1 P07900 3/20 0.43
AKR1C1 Q04828 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTPRC P08575 1/20 0.39
NPSR1 Q6W5P4 4/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4726170 0.80 CFTR (0.61) OPRM1OPRD1CFTRGOPCHSP90AA1
SCHEMBL4725746 0.78 TP53 (0.48) CFTRGOPCNPSR1GAAL3MBTL1
SCHEMBL4728617 0.73 CFTR (0.38) CFTRGOPCMAPTALDH1A1PTPRC
SCHEMBL5083219 0.73 AVPR1A (0.40) CFTRGOPCMAPTKDM4EALDH1A1
SCHEMBL16064982 0.71 OPRM1 (0.46) OPRM1OPRD1HSP90AA1AKR1C1MAPT
SCHEMBL18373219 0.70 OPRM1 (0.42) OPRM1OPRD1HSP90AA1MAPTKDM4E
SCHEMBL1820782 0.69 CYP2D6 (0.48) CFTRGOPCMAPTALDH1A1NPSR1
SCHEMBL31073015 0.69 OPRM1 (0.47) OPRM1OPRD1HSP90AA1AKR1C1MAPT
SCHEMBL24718983 0.69 PDK2 (0.49) OPRM1OPRD1CFTRGOPCHSP90AA1
SCHEMBL29540116 0.69 PDK2 (0.47) OPRM1OPRD1MAPTKDM4EALDH1A1

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 OPRM1 3844/4885OPRD1 3949/4885CFTR 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.