SCHEMBL1610318

SCHEMBL1610318

COC(=O)c1nc(C2CC2)nc(NC2(/C=C/c3ccc(C)cc3)CC2)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
P2RX3 P56373 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.32
PTPN1 P18031 1/20 0.32
AQP1 P29972 1/20 0.31
PDE10A Q9Y233 5/20 0.31
CCR6 P51684 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL1610320 1.00 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2P2RX3HPGDMAPT
SCHEMBL1609935 0.93 SLC6A3 (0.35) ALDH1A1SMN1; SMN2HPGDMAPTPTPN1
SCHEMBL1609934 0.93 SLC6A3 (0.35) ALDH1A1SMN1; SMN2HPGDMAPTPTPN1
SCHEMBL12713075 0.91 NOS2 (0.33) PTPN1
SCHEMBL1611472 0.91 NOS2 (0.33) PTPN1
SCHEMBL12713074 0.91 PDE10A (0.35) ALDH1A1SMN1; SMN2MAPTPTPN1PDE10A
SCHEMBL1610312 0.91 PDE10A (0.35) ALDH1A1SMN1; SMN2MAPTPTPN1PDE10A
SCHEMBL1610775 0.91 PDE10A (0.35) ALDH1A1SMN1; SMN2MAPTPTPN1PDE10A
SCHEMBL1611867 0.86 NPC1 (0.38) SMN1; SMN2HPGDMAPTRAB9A
SCHEMBL1611866 0.86 NPC1 (0.38) SMN1; SMN2HPGDMAPTRAB9A

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
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 ALDH1A1 1562/4885SMN1; SMN2 2654/4885P2RX3 566/4885

“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.