SCHEMBL1610095

SCHEMBL1610095

COC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)nc(NCc2ccco2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
MAPT P10636 4/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
PDE5A O76074 1/20 0.44
REN P00797 1/20 0.44
PTGS2 P35354 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 2/20 0.44
TRPC5 Q9UL62 1/20 0.44
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 4/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1610594 0.91 MAPT (0.55) RAB9AMAPTTHRBKMT2AMEN1
SCHEMBL1610482 0.90 PTGS2 (0.47) RAB9AMAPTTHRBKMT2AMEN1
SCHEMBL1609680 0.89 MAPT (0.47) RAB9AMAPTTHRBKMT2AMEN1
SCHEMBL120609 0.88 RAB9A (0.54) RAB9AMAPTTHRBKMT2AMEN1
SCHEMBL1609024 0.88 MAPT (0.57) RAB9AMAPTTHRBKMT2AMEN1
SCHEMBL1610042 0.85 HSD17B10 (0.44) RAB9AMAPTTHRBKMT2AMEN1
SCHEMBL1609880 0.85 NOTUM (0.45) RAB9AMAPTTHRBKMT2AMEN1
SCHEMBL1611051 0.84 HPGD (0.44) RAB9AMAPTTHRBKMT2AMEN1
SCHEMBL12713301 0.84 APP (0.43) RAB9AMAPTTHRBKMT2AMEN1
SCHEMBL1609726 0.84 MEN1 (0.43) RAB9AMAPTTHRBKMT2AMEN1

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
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 RAB9A 3012/4885MAPT 2800/4885THRB 1495/4885

“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.