SCHEMBL8776622

SCHEMBL8776622

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cc(Br)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBNL1 Q9NR56 1/20 0.43
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 3/20 0.36
CYP1A2 P05177 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
AR P10275 3/20 0.33
HTT P42858 1/20 0.33
PTGFR P43088 4/20 0.33
PTGES O14684 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK10 P53779 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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
SCHEMBL8776465 0.88 MBNL1 (0.45) MBNL1NPC1CYP1A2AR
SCHEMBL3794038 0.88 MBNL1 (0.45) MBNL1NPC1CYP1A2AR
SCHEMBL8776807 0.87 MBNL1 (0.44) MBNL1NPC1CYP1A2AR
SCHEMBL8776676 0.86 MBNL1 (0.44) MBNL1NPC1CYP1A2TDP1AR
SCHEMBL8776992 0.86 MBNL1 (0.56) MBNL1NPC1CYP1A2ARALDH1A1
SCHEMBL8776768 0.84 NPC1 (0.46) MBNL1NPC1MEN1ALDH1A1MAPT
SCHEMBL8776681 0.83 MBNL1 (0.40) MBNL1TP53NPC1MAPT
SCHEMBL8776665 0.82 MBNL1 (0.40) MBNL1NPC1CYP1A2ARMEN1
SCHEMBL8775804 0.82 NPC1 (0.40) MBNL1NPC1CYP1A2ARHTT
SCHEMBL8777019 0.81 MBNL1 (0.45) MBNL1NPC1CYP1A2ARALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 MBNL1 4381/4885TP53 2126/4885THRB 4684/4885

“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.