SCHEMBL5498019

SCHEMBL5498019

N#Cc1ccccc1Oc1cc(Oc2[c]cccc2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
DCK P27707 1/20 0.41
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ACHE P22303 1/20 0.38
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
ERBB3 P21860 1/20 0.35
ERBB4 Q15303 1/20 0.35
PDE10A Q9Y233 1/20 0.34
PIN1 Q13526 1/20 0.34
LRRK2 Q5S007 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
SYK P43405 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
MAPK14 Q16539 1/20 0.32
GCK P35557 1/20 0.32
PDE4A P27815 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
SCHEMBL24507690 0.86 MAP4K4 (0.56) MAP4K4DCKPOLBGAAACHE
SCHEMBL4831482 0.83 GAA (0.49) MAP4K4POLBGAAPIN1LRRK2
SCHEMBL5498026 0.81 MAP4K4 (0.47) MAP4K4DCKPOLBGAAACHE
SCHEMBL26714156 0.79 POLB (0.54) MAP4K4DCKPOLBGAAACHE
SCHEMBL7173109 0.79 MAP4K4 (0.50) MAP4K4DCKPOLBGAAACHE
SCHEMBL3848429 0.79 MAP4K4 (0.43) MAP4K4DCKPOLBGAAACHE
SCHEMBL10073931 0.78 MAP4K4 (0.55) MAP4K4DCKPOLBGAAACHE
SCHEMBL7586510 0.78 AR (0.52) MAP4K4DCKPOLBGAAACHE
SCHEMBL7586504 0.78 MAP4K4 (0.49) MAP4K4DCKPOLBGAAACHE
SCHEMBL7173106 0.76 MAP4K4 (0.50) MAP4K4DCKPOLBGAAACHE

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-1407667-B1 HERBICIDE CONTAINING SUBSTITUTED PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT SDS BIOTECH CORP (JP) 2007-09-26 EP disclosed
EP-0945437-B1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS BIOTECH CORP (JP) 2006-11-02 EP disclosed
US-6809065-B2 ON ALGAE OR WEEDS; CROP SELECTIVITY SDS BIOTECH K.K. (JP) 2004-10-26 US disclosed
EP-1407667-A1 HERBICIDE CONTAINING SUBSTITUTED PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT SDS Biotech K.K. (JP) 2004-04-14 EP disclosed
US-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient SDS BIOTECH K.K. (JP) 2004-02-19 US disclosed
EP-0945437-A1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS Biotech K.K. (JP) 1999-09-29 EP 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-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient DDT, SULT2A1, CYP2E1 MAP4K4 2077/4885DCK 1877/4885POLB 4352/4885

“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.