SCHEMBL1610338

SCHEMBL1610338

COC(=O)c1nc(C2CC2)nc(N[C@@H](C)c2cccc(OC)c2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.47
PRKG1 Q13976 9/20 0.47
POLB P06746 1/20 0.46
PDE10A Q9Y233 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PFKFB3 Q16875 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IDH1 O75874 3/20 0.40
ROCK1 Q13464 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL1610339 1.00 ROCK2 (0.47) ROCK2PRKG1POLBPDE10ASMN1; SMN2
SCHEMBL12712871 0.89 PDE10A (0.46) PDE10A
SCHEMBL12712886 0.89 PDE10A (0.46) PDE10A
SCHEMBL1610839 0.88 PDE10A (0.48) PDE10AMEN1KMT2AIDH1CYP2C9
SCHEMBL1610842 0.88 PDE10A (0.48) PDE10AMEN1KMT2AIDH1CYP2C9
SCHEMBL1610170 0.88 PDE10A (0.50) PDE10AIDH1
SCHEMBL1610091 0.87 P2RX3 (0.46) PDE10AMEN1KMT2A
SCHEMBL1609464 0.86 SOS1 (0.47)
SCHEMBL1609803 0.83 PDE10A (0.50) PDE10ASMN1; SMN2IDH1
SCHEMBL12738177 0.83 ROCK2 (0.43) ROCK2PRKG1POLBPDE10ASMN1; SMN2

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 ROCK2 3345/4885PRKG1 1512/4885POLB 915/4885

“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.