SCHEMBL1609694

SCHEMBL1609694

COC(=O)c1nc(C2CC2)nc(N(C)Cc2ccccc2Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CHRM3 P20309 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
IGF1R P08069 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
PDE10A Q9Y233 2/20 0.36

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
SCHEMBL12713240 0.90 CHRM3 (0.39) SMN1; SMN2ALDH1A1HSD17B10PDE4ARAB9A
SCHEMBL1610224 0.88 SLC6A3 (0.40) SMN1; SMN2ALDH1A1HSD17B10PDE4AMEN1
SCHEMBL1609455 0.87 KMT2A (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1609979 0.83 PDE4B (0.42) SMN1; SMN2ALDH1A1PDE4ARAB9ACHRM3
SCHEMBL1610432 0.82 TSHR (0.40) SMN1; SMN2ALDH1A1HSD17B10PDE4AMEN1
SCHEMBL1609421 0.82 PDE10A (0.43) SMN1; SMN2ALDH1A1HSD17B10PDE4AMEN1
SCHEMBL1609728 0.82 PDE10A (0.42) ALDH1A1PDE4AMEN1KMT2ACHRM3
SCHEMBL1609435 0.82 PDE4B (0.45) SMN1; SMN2ALDH1A1PDE4AMEN1KMT2A
SCHEMBL1608874 0.82 SLC6A3 (0.39) SMN1; SMN2ALDH1A1HSD17B10PDE4AMEN1
SCHEMBL1609980 0.82 CHRM3 (0.43) SMN1; SMN2ALDH1A1PDE4AMEN1KMT2A

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 SMN1; SMN2 2654/4885ALDH1A1 1562/4885HSD17B10 1869/4885

“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.