SCHEMBL8778865

SCHEMBL8778865

Cc1ccc(-c2ncc3ccccc3n2)nc1CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
HTR6 P50406 1/20 0.38
RAB9A P51151 2/20 0.36
SMO Q99835 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OPRK1 P41145 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
ABCC1 P33527 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
GBA1 P04062 1/20 0.32
LMNA P02545 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
SCHEMBL8778780 0.79 TDP1 (0.43) CYP1A2RAB9ASMONPC1ALDH1A1
SCHEMBL8778826 0.79 RAB9A (0.41) CYP1A2HTR6RAB9ASMONPC1
SCHEMBL3786388 0.76 CYP1A2 (0.40) CYP1A2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL8871981 0.76 CYP1A2 (0.40) CYP1A2RAB9AMEN1KMT2ANPC1
SCHEMBL8778854 0.75 CYP1A2 (0.39) CYP1A2RAB9AMEN1KMT2ANPC1
SCHEMBL8778361 0.75 CYP1A2 (0.39) CYP1A2RAB9AMEN1KMT2ANPC1
SCHEMBL8778679 0.75 CYP1A2 (0.40) CYP1A2SMONPC1
SCHEMBL8778366 0.74 CYP1A2 (0.38) CYP1A2RAB9AMEN1KMT2ANPC1
SCHEMBL8871311 0.74 CYP1A2 (0.38) CYP1A2RAB9AMEN1KMT2ANPC1
SCHEMBL8778671 0.73 CYP1A2 (0.46) CYP1A2RAB9ANPC1ALDH1A1KDM4E

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 CYP1A2 18/4885HTR6 4515/4885RAB9A 814/4885

“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.