SCHEMBL1611867

SCHEMBL1611867

COC(=O)c1nc(C2CC2)nc(NC2(C=Cc3cccc(Cl)c3)CC2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 4/20 0.36
CYP2C19 P33261 3/20 0.36
HPGD P15428 1/20 0.36
CYP2C9 P11712 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SLC6A3 Q01959 1/20 0.33
F11 P03951 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
LMNA P02545 1/20 0.32
NR1H4 Q96RI1 2/20 0.32
CYP3A4 P08684 2/20 0.32
NFE2L2 Q16236 1/20 0.32
MEN1 O00255 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
SCHEMBL1611866 1.00 NPC1 (0.38) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL12713074 0.91 PDE10A (0.35) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL1610775 0.91 PDE10A (0.35) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL1610312 0.91 PDE10A (0.35) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL1609935 0.89 SLC6A3 (0.35) RAB9ASMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL1609934 0.89 SLC6A3 (0.35) RAB9ASMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL1610320 0.86 ALDH1A1 (0.33) RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL1610318 0.86 ALDH1A1 (0.33) RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL1610213 0.85 SLC6A3 (0.37) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL1610209 0.85 SLC6A3 (0.37) NPC1RAB9ASMN1; SMN2POLBMAPT

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 NPC1 3897/4885RAB9A 3012/4885SMN1; 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.