SCHEMBL8778331

SCHEMBL8778331

Cc1ccc(-c2ncc3ccccc3n2)nc1Cc1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
MBNL1 Q9NR56 1/20 0.35
ADRB2 P07550 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
AR P10275 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
PDE5A O76074 1/20 0.32
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 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
SCHEMBL8778361 0.89 CYP1A2 (0.39) CYP1A2KMT2AMEN1ALDH1A1NPC1
SCHEMBL3781985 0.88 AR (0.36) CYP1A2ARLMNA
SCHEMBL8778454 0.85 CYP1A2 (0.36) TP53MAPTCYP1A2KMT2AMEN1
SCHEMBL8778324 0.85 CYP1A2 (0.40) CYP1A2ALDH1A1LMNA
SCHEMBL8865669 0.85 AR (0.36) CYP1A2ALDH1A1HDAC6AR
SCHEMBL8778396 0.83 LMNA (0.38) TP53MAPTCYP1A2KMT2AMEN1
SCHEMBL8778433 0.83 CYP1A2 (0.36) TP53MAPTCYP1A2KMT2AMEN1
SCHEMBL8778460 0.82 PTPN11 (0.36) MAPTCYP1A2KMT2AMEN1ALDH1A1
SCHEMBL3786388 0.82 CYP1A2 (0.40) CYP1A2ALDH1A1HTTLMNAHPGD
SCHEMBL8778358 0.82 PDE9A (0.36) CYP1A2HDAC6

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 RXFP1 3268/4885TP53 2126/4885MAPT 3067/4885

“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.