SCHEMBL5498026

SCHEMBL5498026

N#Cc1ccccc1Oc1cc(Oc2cc[c]cc2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
DCK P27707 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACHE P22303 1/20 0.39
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
MAPK14 Q16539 3/20 0.38
LRRK2 Q5S007 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ERBB3 P21860 1/20 0.36
ERBB4 Q15303 1/20 0.36

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 0.88 MAP4K4 (0.56) MAP4K4POLBGAADCKACHE
SCHEMBL920742 0.82 POLB (0.66) MAP4K4POLBGAASMN1; SMN2MAPK14
SCHEMBL26714156 0.81 POLB (0.54) MAP4K4POLBGAADCKNPC1
SCHEMBL5498019 0.81 MAP4K4 (0.45) MAP4K4POLBGAADCKACHE
SCHEMBL5081706 0.80 AR (0.53) MAP4K4POLBGAADCKSMN1; SMN2
SCHEMBL10073931 0.80 MAP4K4 (0.55) MAP4K4POLBGAADCKSMN1; SMN2
SCHEMBL7586504 0.80 MAP4K4 (0.49) MAP4K4POLBGAADCKACHE
SCHEMBL7586510 0.80 AR (0.52) MAP4K4POLBGAADCKSMN1; SMN2
SCHEMBL7173109 0.78 MAP4K4 (0.50) MAP4K4POLBGAADCKSMN1; SMN2
SCHEMBL10049643 0.78 MAP4K4 (0.50) MAP4K4POLBGAADCKSMN1; SMN2

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 2077/4885POLB 4352/4885GAA 2329/4885

“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.