SCHEMBL8778472

SCHEMBL8778472

Cc1ccc(-c2ncc3ccccc3n2)nc1Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 3/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
CYP1A2 P05177 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALKBH3 Q96Q83 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
SMO Q99835 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
RAB9A P51151 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
SCHEMBL8778367 0.90 USP1 (0.38) CYP1A2ALKBH3MAPTLMNASMO
SCHEMBL8778366 0.88 CYP1A2 (0.38) SMN1; SMN2TP53MEN1KMT2ACYP1A2
SCHEMBL3786388 0.88 CYP1A2 (0.40) SMN1; SMN2CYP1A2KDM4ELMNAHTT
SCHEMBL8778423 0.86 LMNA (0.41) SMN1; SMN2TP53CYP1A2MAPTNPC1
SCHEMBL8777791 0.81 SMN1; SMN2 (0.39) TNFNOD1SMN1; SMN2TP53MEN1
SCHEMBL8871754 0.80 GPR52 (0.42) CYP1A2RAB9AKDR
SCHEMBL8778322 0.80 CYP1A2 (0.38) TP53MEN1KMT2ACYP1A2MAPT
SCHEMBL8776538 0.80 CYP1A2 (0.46) TNFNOD1SMN1; SMN2TP53MEN1
SCHEMBL8778361 0.79 CYP1A2 (0.39) SMN1; SMN2MEN1KMT2ACYP1A2NPC1
SCHEMBL8778355 0.78 GBA1 (0.38) SMN1; SMN2CYP1A2MAPTNPC1LMNA

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 TNF 3852/4885NOD1 95/4885SMN1; SMN2 3646/4885

“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.