SCHEMBL3103568

SCHEMBL3103568

Cc1cc(O)cc2cc(Cl)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CHRM1 P11229 1/20 0.43
ALOX15 P16050 1/20 0.43
MAOA P21397 1/20 0.43
TBXA2R P21731 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
GRIN2D O15399 4/20 0.33
GRIN3B O60391 4/20 0.33
GRIN1 Q05586 4/20 0.33
GRIN2A Q12879 4/20 0.33
GRIN2B Q13224 4/20 0.33
GRIN2C Q14957 4/20 0.33
GRIN3A Q8TCU5 4/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
GUSB P08236 1/20 0.32

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
SCHEMBL534655 0.78 HTT (0.40) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL534618 0.78 CYP3A4 (0.34) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL3114113 0.78 RPS6KA3 (0.37) CYP3A4KDM4EALDH1A1ADORA3ADORA1
SCHEMBL18458869 0.77 RECQL (0.33) ALDH1A1ADORA3ADORA1
SCHEMBL19780464 0.75 PARP1 (0.34) ALDH1A1ADORA3ADORA1
SCHEMBL19780469 0.73 PTGDR2 (0.38) KDM4EPLAU
SCHEMBL18458802 0.73 PSMD14 (0.44) ALOX15MAPK1KDM4EALDH1A1MEN1
SCHEMBL22542353 0.72 KDM4E (0.44) KDM4ECCR1CCR5CCR8ATM
SCHEMBL3112415 0.71 ALDH1A1 (0.42) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1927585 0.70 ALDH1A1 (0.32) ALDH1A1CCR1CCR5CCR8MEN1

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 CYP3A4 35/4885CHRM1 1161/4885ALOX15 2257/4885

“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.