SCHEMBL16401004

SCHEMBL16401004

CCc1cccnc1NC(=S)N/N=C/c1ccc2c(ccc3c2nnn3-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GCGR P47871 1/20 0.34
GRK2 P25098 1/20 0.33
HTT P42858 1/20 0.33
P2RY1 P47900 1/20 0.33
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL16401006 1.00 BCHE (0.37) BCHEACHEBACE1ALDH1A1MAPT
SCHEMBL16401128 0.90 LMNA (0.38) BCHEACHEBACE1ALDH1A1MAPT
SCHEMBL16401126 0.90 LMNA (0.38) BCHEACHEBACE1ALDH1A1MAPT
SCHEMBL16400835 0.90 BCHE (0.37) BCHEACHEBACE1ALDH1A1MAPT
SCHEMBL16400837 0.90 BCHE (0.37) BCHEACHEBACE1ALDH1A1MAPT
SCHEMBL16400847 0.88 LMNA (0.43) ALDH1A1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL16400850 0.88 LMNA (0.43) ALDH1A1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL16401003 0.85 P2RY1 (0.35) BCHEACHEBACE1MAPTSMN1; SMN2
SCHEMBL16400282 0.84 LMNA (0.45) BCHEACHEBACE1MAPTLMNA
SCHEMBL16400280 0.84 LMNA (0.45) BCHEACHEBACE1MAPTLMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP claimed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US claimed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US claimed
EP-3022185-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2016-05-25 EP claimed
WO-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 WO claimed
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP disclosed
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 BCHE 98/4885ACHE 42/4885BACE1 1571/4885

“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.