SCHEMBL1609538

SCHEMBL1609538

C=Cc1c(C(=O)OC)nc(C2CC2)nc1N(CC)Cc1ccncc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
RECQL P46063 2/20 0.33
F10 P00742 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE10A Q9Y233 1/20 0.33
POLB P06746 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 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
SCHEMBL1611134 0.89 CHRM3 (0.39) ALDH1A1RECQLF10PKMHTT
SCHEMBL1609736 0.86 PDE10A (0.40) ALDH1A1RECQLF10PKMHTT
SCHEMBL1610713 0.78 CHRM3 (0.39) ALDH1A1PKMMEN1LMNAKMT2A
SCHEMBL720293 0.77 MEN1 (0.35) ALDH1A1NPSR1HSD17B10MEN1KMT2A
SCHEMBL12712701 0.77 CHRM3 (0.41) ALDH1A1HTTSMN1; SMN2LMNAPDE10A
SCHEMBL13769074 0.76
SCHEMBL1609728 0.76 PDE10A (0.42) ALDH1A1F10MEN1LMNAKMT2A
SCHEMBL1609557 0.75 CNR2 (0.34) ALDH1A1MEN1KMT2APSEN1PSEN2
SCHEMBL1609969 0.72 CHRM3 (0.38) ALDH1A1HTTSMN1; SMN2NPSR1LMNA
SCHEMBL12713186 0.72 DHODH (0.36) ALDH1A1SMN1; SMN2NPSR1MEN1LMNA

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 1562/4885RECQL 2865/4885F10 4412/4885

“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.