SCHEMBL1610241

SCHEMBL1610241

COC(=O)c1nc(C2CC2)nc(NC2(C=Cc3ccccc3F)CC2)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PDE10A Q9Y233 1/20 0.32
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPY5R Q15761 1/20 0.31
CHRM3 P20309 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL12713086 1.00 NPC1 (0.35) NPC1MAPTRAB9APDE10AMAOB
SCHEMBL1609742 0.91 NR1H4 (0.34) NPC1MAPTRAB9APDE10ACHRM3
SCHEMBL1609743 0.91 NR1H4 (0.34) NPC1MAPTRAB9APDE10ACHRM3
SCHEMBL1609520 0.91 KMT2A (0.37) NPC1MAPTRAB9APDE10AMAOB
SCHEMBL1609521 0.91 KMT2A (0.37) NPC1MAPTRAB9APDE10AMAOB
SCHEMBL1610535 0.90 POLB (0.31) MAPTRAB9A
SCHEMBL1610532 0.90 POLB (0.31) MAPTRAB9A
SCHEMBL1610682 0.88 SLC6A3 (0.39) MAPTPDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1610679 0.88 SLC6A3 (0.39) MAPTPDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12713074 0.88 PDE10A (0.35) NPC1MAPTRAB9APDE10AALDH1A1

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 3897/4885MAPT 2800/4885RAB9A 3012/4885

“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.