SCHEMBL1609935

SCHEMBL1609935

COC(=O)c1nc(C2CC2)nc(NC2(C=Cc3ccc(Cl)cc3)CC2)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 2/20 0.33
PTPN2 P17706 1/20 0.33
DRD2 P14416 1/20 0.33
USP2 O75604 1/20 0.33
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
PTGS2 P35354 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
SCHEMBL1609934 1.00 SLC6A3 (0.35) SLC6A3MAPTHTTTDP1PTPN1
SCHEMBL1610320 0.93 ALDH1A1 (0.33) MAPTPTPN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1610318 0.93 ALDH1A1 (0.33) MAPTPTPN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12713075 0.92 NOS2 (0.33) SLC6A3PTPN1NOS2NOS3NOS1
SCHEMBL1611472 0.92 NOS2 (0.33) SLC6A3PTPN1NOS2NOS3NOS1
SCHEMBL12713074 0.92 PDE10A (0.35) SLC6A3MAPTHTTPTPN1KDM4E
SCHEMBL1610312 0.92 PDE10A (0.35) SLC6A3MAPTHTTPTPN1KDM4E
SCHEMBL1610775 0.92 PDE10A (0.35) SLC6A3MAPTHTTPTPN1KDM4E
SCHEMBL1611866 0.89 NPC1 (0.38) SLC6A3MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL1611867 0.89 NPC1 (0.38) SLC6A3MAPTSMN1; SMN2HPGDRAB9A

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 SLC6A3 2437/4885MAPT 2800/4885HTT 1789/4885

“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.