SCHEMBL8777613

SCHEMBL8777613

Cc1ccc(-c2ncc3ccccc3n2)nc1Oc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
MRGPRX1 Q96LB2 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 2/20 0.37
MAPT P10636 2/20 0.37
PIN1 Q13526 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MBNL1 Q9NR56 1/20 0.35
TRPA1 O75762 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8777505 0.86 LMNA (0.46) L3MBTL1ALDH1A1CYP1A2MAPTMEN1
SCHEMBL8777598 0.86 ALDH1A1 (0.43) L3MBTL1ALDH1A1CYP1A2MAPTMEN1
SCHEMBL8777719 0.85 LMNA (0.47) L3MBTL1ALDH1A1CYP1A2MAPTMEN1
SCHEMBL8777628 0.85 CYP1A2 (0.41) L3MBTL1ALDH1A1CYP1A2MAPTPIN1
SCHEMBL8777583 0.84 L3MBTL1 (0.47) L3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL3792084 0.83 L3MBTL1 (0.43) L3MBTL1ALDH1A1CYP1A2MAPTMEN1
SCHEMBL8777522 0.83 P2RX3 (0.41) L3MBTL1ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL8777524 0.82 L3MBTL1 (0.48) L3MBTL1ALDH1A1CYP1A2MAPTMEN1
SCHEMBL8777685 0.81 MAPT (0.42) MRGPRX1L3MBTL1ALDH1A1CYP1A2MAPT
SCHEMBL8777646 0.81 L3MBTL1 (0.48) L3MBTL1ALDH1A1CYP1A2MAPTMEN1

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 MAPK1 158/4885MRGPRX1 2018/4885L3MBTL1 3069/4885

“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.