SCHEMBL8776344

SCHEMBL8776344

Ic1ccccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
C1R P00736 4/20 0.35
NPC1 O15118 5/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
KLK1 P06870 1/20 0.33
PRSS1 P07477 1/20 0.33
C1S P09871 1/20 0.33
KDM4E B2RXH2 3/20 0.33
GPR3 P46089 1/20 0.33
EGFR P00533 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
TP53 P04637 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL8775074 0.83 CYP1A2 (0.53) CYP1A2NPC1KDM4EGPR3SMN1; SMN2
SCHEMBL8775242 0.82 CYP1A2 (0.45) CYP1A2NPC1KDM4ESMN1; SMN2MAPT
SCHEMBL8775659 0.82 NPC1 (0.52) CYP1A2NPC1MAPTALDH1A1RAB9A
SCHEMBL8775741 0.82 CYP1A2 (0.44) CYP1A2SMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL8776067 0.82 CYP1A2 (0.44) CYP1A2NPC1KDM4EGPR3EGFR
SCHEMBL8775144 0.82 CYP1A2 (0.44) CYP1A2NPC1KDM4ESMN1; SMN2TP53
SCHEMBL8775521 0.82 CYP1A2 (0.44) CYP1A2C1RNPC1KDM4EGPR3
SCHEMBL8775528 0.82 CYP1A2 (0.44) CYP1A2NPC1SMN1; SMN2MAPTMEN1
SCHEMBL8775515 0.79 NPC1 (0.43) CYP1A2NPC1KDM4EMAPTAR
SCHEMBL8775758 0.79 GRM5 (0.43) CYP1A2NPC1KDM4ESMN1; SMN2TP53

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 18/4885C1R 2183/4885NPC1 346/4885

“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.