SCHEMBL1609304

SCHEMBL1609304

COC(=O)c1nc(C2CC2)nc(NC(Cc2ccc(O)cc2)C(=O)OC)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 1/20 0.42
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TSHR P16473 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
CDK2 P24941 7/20 0.37
NLRP3 Q96P20 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDR P35968 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL1609306 1.00 NPSR1 (0.42) NPSR1KMT2AELANEESR1ESR2
SCHEMBL1610877 0.93 NOS2 (0.38) NPSR1KMT2AELANECDK2
SCHEMBL1610879 0.93 NOS2 (0.38) NPSR1KMT2AELANECDK2
SCHEMBL12712978 0.92 P2RX3 (0.39)
SCHEMBL1609177 0.91 NOS2 (0.42) NPSR1KMT2AELANETSHRCDK2
SCHEMBL1609302 0.91 PDE10A (0.43) ELANETSHRALDH1A1
SCHEMBL12712973 0.85 PDE10A (0.37) KMT2A
SCHEMBL12738485 0.84 PDE10A (0.43) KMT2AALDH1A1
SCHEMBL12712958 0.83 CYP3A4 (0.43) NPSR1KMT2A
SCHEMBL1609813 0.82 USP2 (0.39) KMT2ACDK2CHRM3

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 1 patent. 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

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 NPSR1 2070/4885KMT2A 2003/4885ELANE 4446/4885

“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.