SCHEMBL1608875

SCHEMBL1608875

COC(=O)c1nc(C2CC2)nc(NCc2ccccc2Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PDE10A Q9Y233 7/20 0.46
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
SLC26A6 Q9BXS9 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
PDE4A P27815 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL1609763 0.90 PDE10A (0.47) ALDH1A1HSD17B10SMN1; SMN2PDE10ALMNA
SCHEMBL1610305 0.89 PDE10A (0.44) ALDH1A1HSD17B10SMN1; SMN2PDE10ALMNA
SCHEMBL1610382 0.89 PDE10A (0.44) ALDH1A1HSD17B10SMN1; SMN2PDE10ALMNA
SCHEMBL1609068 0.89 PDE10A (0.44) ALDH1A1HSD17B10SMN1; SMN2PDE10APDE4A
SCHEMBL1610277 0.89 PDE10A (0.44) ALDH1A1HSD17B10SMN1; SMN2PDE10APDE4A
SCHEMBL1609687 0.89 PDE10A (0.45) ALDH1A1HSD17B10SMN1; SMN2PDE10APDE4A
SCHEMBL1609110 0.87 HPGD (0.50) ALDH1A1HSD17B10SMN1; SMN2PDE10AHPGD
SCHEMBL1609556 0.87 KDM4E (0.43) ALDH1A1HSD17B10SMN1; SMN2PDE10AMAPK1
SCHEMBL1609781 0.87 ABL1 (0.45) ALDH1A1HSD17B10SMN1; SMN2PDE10A
SCHEMBL1609704 0.87 PDE10A (0.62) ALDH1A1PDE10APDE4ACYP3A4CYP2C19

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 1562/4885HSD17B10 1869/4885SMN1; 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.