SCHEMBL8777628

SCHEMBL8777628

Cc1ccc(-c2ncc3ccccc3n2)nc1Oc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
HPGD P15428 1/20 0.39
PIN1 Q13526 1/20 0.39
KDM1A O60341 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GPR3 P46089 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTR1B P28222 3/20 0.36
NPSR1 Q6W5P4 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.34
AR P10275 1/20 0.34
RECQL P46063 1/20 0.34
CYP3A4 P08684 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
SCHEMBL8777598 0.86 ALDH1A1 (0.43) CYP1A2KDM4EL3MBTL1MEN1KMT2A
SCHEMBL8777613 0.85 MAPK1 (0.43) CYP1A2PIN1L3MBTL1MEN1KMT2A
SCHEMBL8777719 0.85 LMNA (0.47) CYP1A2L3MBTL1MEN1KMT2ANPSR1
SCHEMBL8777524 0.85 L3MBTL1 (0.48) CYP1A2KDM4EGPR3L3MBTL1MEN1
SCHEMBL3792084 0.83 L3MBTL1 (0.43) CYP1A2L3MBTL1MEN1KMT2ANPSR1
SCHEMBL8777522 0.83 P2RX3 (0.41) CYP1A2L3MBTL1MEN1KMT2ANPSR1
SCHEMBL8777505 0.81 LMNA (0.46) CYP1A2HPGDKDM4EL3MBTL1MEN1
SCHEMBL8777646 0.81 L3MBTL1 (0.48) CYP1A2HPGDKDM4EL3MBTL1MEN1
SCHEMBL8777441 0.81 CYP1A2 (0.43) CYP1A2HPGDPIN1KDM1AKDM4E
SCHEMBL8777506 0.81 MAPT (0.51) CYP1A2L3MBTL1MEN1KMT2ANPSR1

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 18/4885HPGD 1679/4885PIN1 696/4885

“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.