SCHEMBL5162313

SCHEMBL5162313

CCC(Oc1cncc(Br)c1)C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5158351 0.87 SMN1; SMN2 (0.51) POLBHCAR2KDM4EMAPTHTT
Hydrochloric Acid SCHEMBL5162319 0.85 SMN1; SMN2 (0.50) CHRNB2CHRNA4POLBHCAR2KDM4E
SCHEMBL5159105 0.84 KDM4E (0.42) POLBHCAR2KDM4E
SCHEMBL27610926 0.78 PPARG (0.52) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL7751237 0.76 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL5159277 0.76 CYP1A2 (0.40) KDM4EMAPTSMN1; SMN2
SCHEMBL28181927 0.74 CHRNB2 (0.43) CHRNB2CHRNA4POLBHCAR2KDM4E
SCHEMBL5160991 0.74 CYP1A2 (0.39) KDM4E
SCHEMBL11354892 0.74 SMN1; SMN2 (0.50) MAPTSMN1; SMN2
SCHEMBL5156483 0.72 CYP1A2 (0.38) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-06-14 US disclosed
EP-1456174-B1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LTD (GB) 2007-02-14 EP disclosed
US-7166621-B2 Pyridyloxyalkanoic acid amide derivatives useful as fungicides SYNGENTA LIMITED (GB) 2007-01-23 US disclosed
US-20050065032-A1 Pyridyloxyalkanoic acid amide derivatives useful as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2005-03-24 US disclosed
EP-1456174-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES Syngenta Limited (GB) 2004-09-15 EP disclosed
WO-2003048128-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LIMITED (GB) 2003-06-12 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 (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-20050065032-A1 Pyridyloxyalkanoic acid amide derivatives useful as fungicides DDT, C3AR1, CNPY3 CHRNB2 1946/4885CHRNA4 839/4885POLB 4710/4885
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES DDT, C3AR1, CBR3 CHRNB2 2161/4885CHRNA4 1005/4885POLB 4681/4885

“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.