SCHEMBL6165930

SCHEMBL6165930

C#CCOc1ncncc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.36
HSD17B10 Q99714 3/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
HTT P42858 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 5/20 0.33
CYP3A4 P08684 5/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGFR P00533 2/20 0.32
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
MGMT P16455 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 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
SCHEMBL18838245 0.77 CYP17A1 (0.42) HSD17B10MAPK1CYP17A1CYP1A2CYP3A4
SCHEMBL11199576 0.73 NUDT1 (0.55) HSD17B10MAOBMAOAHTTCYP3A4
SCHEMBL6328488 0.73 HTT (0.41) CYP2B6HSD17B10POLBMAPK1MAOB
SCHEMBL6332152 0.73 MAOB (0.39) CYP2B6HSD17B10POLBMAPK1MAOB
SCHEMBL30361260 0.72 CYP1A2 (0.37) HSD17B10CYP17A1CYP1A2CYP3A4ALDH1A1
SCHEMBL29728856 0.72 CYP17A1 (0.35) HSD17B10CYP17A1CYP1A2CYP3A4ALDH1A1
SCHEMBL26453885 0.72 CYP1A2 (0.37) HSD17B10CYP17A1CYP1A2CYP3A4ALDH1A1
SCHEMBL15303366 0.66 APP (0.43)
SCHEMBL8177190 0.66 PADI4 (0.36) HSD17B10POLBMAPK1MAOBMAOA
SCHEMBL11192994 0.65 SMN1; SMN2 (0.39) HSD17B10POLBMAPK1HTTCYP1A2

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
US-20050202973-A1 Aryl-alkyne compounds as herbicides SYNGENTA CROP PROTECTION, INC. 2005-09-15 US disclosed
EP-1507768-A1 ARYL-ALKYNE COMPOUNDS AS HERBICIDES Syngenta Participations AG (CH) 2005-02-23 EP disclosed
WO-2003087067-A1 ARYL-ALKYNE COMPOUNDS AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-10-23 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-20050202973-A1 Aryl-alkyne compounds as herbicides ALK, AGT, AHR CYP2B6 95/4885HSD17B10 422/4885POLB 4265/4885

“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.