SCHEMBL3100730

SCHEMBL3100730

CCc1cc(O)cc2cc(Br)cnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
PRNP P04156 1/20 0.33
HPGD P15428 1/20 0.33
NOD2 Q9HC29 1/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
ALDH1A1 P00352 2/20 0.32
AURKA O14965 1/20 0.31
DHFR P00374 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL3106118 0.78 PDE1B (0.36) HTTNPSR1LMNAPRNPHPGD
SCHEMBL534655 0.77 HTT (0.40) ESR1ESR2HTTNPSR1LMNA
SCHEMBL533275 0.77 PRNP (0.42) ESR1ESR2HTTNPSR1LMNA
SCHEMBL23735860 0.75 ESR1 (0.35) ESR1ESR2HTTLMNAPTPN1
SCHEMBL534734 0.74 PLAU (0.39) ESR1ESR2HTTNPSR1LMNA
SCHEMBL1926191 0.74 DYRK1A (0.33) HTTNPSR1LMNAPRNPHPGD
SCHEMBL1927586 0.74 ESR1 (0.33) ESR1ESR2HTTNPSR1LMNA
SCHEMBL25702612 0.71 HSP90AA1 (0.54) HTTMAPTSMN1; SMN2L3MBTL1PKM
SCHEMBL9949429 0.71 MAPT (0.38) ESR2HTTNPSR1MAPTSMN1; SMN2
SCHEMBL21403775 0.68 HTT (0.41) HTTNPSR1LMNAPRNPHPGD

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
EP-2185520-B1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-12-26 EP disclosed
CN-101796030-B Fungicidal 2-Alkylthio-2-quinolinyloxy-acetamide derivatives SYNGENTA PARTICIPATIONS AG 2012-08-22 CN disclosed
US-20100256183-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-07 US disclosed
CN-101796030-A Fungicidal 2-Alkylthio-2-quinolinyloxy-acetamide derivatives SYNGENTA PARTICIPATIONS AG 2010-08-04 CN disclosed
EP-2185520-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES Sygenta Participations AG. (CH) 2010-05-19 EP disclosed
WO-2009030469-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERITVATIVES SYGENTA PARTICIPATIONS AG, (CH) 2009-03-12 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 (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-20100256183-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES CYP1A2, AADAC, CYP51A1 ESR1 4305/4885ESR2 3431/4885HTT 2430/4885

“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.