SCHEMBL3784385

SCHEMBL3784385

c1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 4/20 0.49
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
ASIC3 Q9UHC3 1/20 0.43
AR P10275 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL8775562 0.87 CYP1A2 (0.50) RAB9AMEN1KMT2ACYP1A2NPC1
SCHEMBL8775116 0.87 CYP1A2 (0.47) RAB9AMEN1KMT2ACYP1A2NPC1
SCHEMBL8775312 0.87 RAB9A (0.51) RAB9AMEN1KMT2ACYP1A2NPC1
SCHEMBL9607713 0.87 MEN1 (0.57) RAB9AMEN1KMT2ACYP1A2NPC1
SCHEMBL8775242 0.87 CYP1A2 (0.45) RAB9AMEN1KMT2ACYP1A2NPC1
SCHEMBL8775105 0.85 BCHE (0.48) MEN1KMT2ACYP1A2MAPTIDO1
SCHEMBL8775191 0.85 BCHE (0.48) RAB9AMEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL8775671 0.85 HSD17B1 (0.50) RAB9ACYP1A2SMN1; SMN2LMNAAR
SCHEMBL8776094 0.84 CYP1A2 (0.47) RAB9AMEN1KMT2ACYP1A2NPC1
SCHEMBL8775517 0.84 CYP1A2 (0.47) RAB9AMEN1KMT2ACYP1A2NPC1

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 7 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
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
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
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 RAB9A 814/4885MEN1 571/4885KMT2A 2145/4885

“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.