SCHEMBL3790573

SCHEMBL3790573

COc1ccc(-c2nc(-c3nc4ccccc4c(=O)[nH]3)ccc2C)cc1F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GUSB P08236 5/20 0.58
CYP1A1 P04798 3/20 0.55
CYP1B1 Q16678 3/20 0.55
CYP1A2 P05177 1/20 0.53
CDK4 P11802 2/20 0.52
CCND1 P24385 2/20 0.52
TNKS O95271 5/20 0.50
TNKS2 Q9H2K2 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
PARP1 P09874 2/20 0.50
MAPK1 P28482 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
PARP2 Q9UGN5 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL8779739 0.79 ABCG2 (0.49) NPC1RAB9AMAPK1KDM4EMAPT
SCHEMBL8779566 0.78 ABCG2 (0.48) CYP1A2NPC1RAB9AMAPK1KDM4E
SCHEMBL3786521 0.78 ABCG2 (0.47) NPC1RAB9AMAPK1KDM4EMAPT
SCHEMBL30691836 0.75 PDGFRB (0.50) NPC1RAB9AMAPK1KDM4EMAPT
SCHEMBL16007517 0.74 GUSB (1.00) GUSBCYP1A1CYP1B1CYP1A2CDK4
SCHEMBL31238611 0.74 GUSB (1.00) GUSBCYP1A1CYP1B1CYP1A2CDK4
SCHEMBL6122044 0.73 TNKS2 (0.56) GUSBCYP1A1CYP1B1TNKSTNKS2
SCHEMBL3785974 0.73 ALDH1A1 (0.46) CYP1A2NPC1RAB9AMAPK1KDM4E
SCHEMBL29360950 0.73 ALDH1A1 (0.46) CYP1A2NPC1RAB9AMAPK1KDM4E
SCHEMBL15690958 0.72 GUSB (1.00) GUSBCYP1A1CYP1B1CYP1A2CDK4

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 3 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
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 GUSB 628/4885CYP1A1 4/4885CYP1B1 8/4885

“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.