SCHEMBL8775671

SCHEMBL8775671

Oc1cccc(-c2cccc(-c3ncc4ccccc4n3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.50
HSD17B2 P37059 6/20 0.50
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
METAP2 P50579 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
CHEK1 O14757 1/20 0.44
MAP4K4 O95819 1/20 0.43
ATR Q13535 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL3784385 0.85 RAB9A (0.55) CYP1A2LMNANFKB1RAB9ANFKB2
SCHEMBL8775191 0.83 BCHE (0.48) CYP1A2RAB9ASMN1; SMN2METAP2
SCHEMBL8775105 0.83 BCHE (0.48) CYP1A2MAP4K4
SCHEMBL8776094 0.82 CYP1A2 (0.47) CYP1A2LMNATP53NFKB1RAB9A
SCHEMBL8775836 0.82 FYN (0.43) CYP1A2ATRPIK3CAPIK3CG
SCHEMBL8776852 0.82 CYP1A2 (0.42) HSD17B1HSD17B2CYP1A2LMNATP53
SCHEMBL8775690 0.80 CYP1A2 (0.43) CYP1A2RAB9AMAP4K4
SCHEMBL8775225 0.80 CTSS (0.49) CYP1A2ATR
SCHEMBL8775416 0.80 CYP1A2 (0.50) CYP1A2NFKB1RAB9ANFKB2RELA
SCHEMBL8863633 0.79 MAP4K4 (0.51) CYP1A2MAP4K4HDAC6

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 HSD17B1 746/4885HSD17B2 1038/4885CYP1A2 18/4885

“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.