SCHEMBL1610052

SCHEMBL1610052

COC(=O)c1nc(C2CC2)nc(NC2(COc3ccc(Cl)cc3)CC2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.38
ATF4 P18848 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.33
CNR1 P21554 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1610062 0.81 PDE2A (0.40) SLC6A3SMN1; SMN2L3MBTL1KMT2AIDO1
SCHEMBL1610327 0.78 PDE10A (0.42) SLC6A3SMN1; SMN2L3MBTL1KMT2ATSHR
SCHEMBL1610223 0.78 NPY1R (0.41) SMN1; SMN2KMT2ATSHRCYP1A2
SCHEMBL1609935 0.77 SLC6A3 (0.35) SLC6A3SMN1; SMN2L3MBTL1RAB9ACNR1
SCHEMBL1609934 0.77 SLC6A3 (0.35) SLC6A3SMN1; SMN2L3MBTL1RAB9ACNR1
SCHEMBL1609147 0.76 PDE10A (0.50) SLC6A3SMN1; SMN2KMT2ACNR1
SCHEMBL12712709 0.75 SLC6A3 (0.40) SLC6A3
SCHEMBL1611017 0.73 PDE2A (0.38) SLC6A3KMT2ANPC1RAB9ACYP3A4
SCHEMBL1610879 0.73 NOS2 (0.38) SLC6A3KMT2AIDO1
SCHEMBL1609780 0.73 ADORA2A (0.40) SLC6A3SMN1; SMN2L3MBTL1TSHRCYP3A4

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 4 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
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 SLC6A3 2437/4885ATF4 1962/4885SMN1; SMN2 2654/4885

“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.