SCHEMBL1695335

SCHEMBL1695335

[c]1cccc2c1[CH]c1ccccc1S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
GPR84 Q9NQS5 1/20 0.33
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
BCHE P06276 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MAOA P21397 1/20 0.31
CNR1 P21554 1/20 0.31
ACHE P22303 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
PTGS2 P35354 1/20 0.31
SNCA P37840 1/20 0.31

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
SCHEMBL168345 0.75 TRPA1 (0.56) TRPA1GPR84MEN1CYP1A2BCHE
SCHEMBL2514190 0.68 TRPA1 (0.55) TRPA1
SCHEMBL132265 0.66 MAOA (0.36) MEN1CYP1A2BCHEPOLBCYP3A4
SCHEMBL4742301 0.65 TRPA1 (0.50) TRPA1GPR84MEN1CYP1A2BCHE
SCHEMBL15124403 0.63 MEN1 (0.30) MEN1CYP1A2BCHEPOLBCYP3A4
SCHEMBL5261722 0.63 TRPA1 (0.43) TRPA1GPR84MEN1CYP1A2BCHE
SCHEMBL21858079 0.63 GAA (0.33) GAAMAPT
SCHEMBL21858080 0.63 GAA (0.33) GAAMAPT
SCHEMBL5446898 0.61
SCHEMBL21629348 0.60 BCHE (0.56) TRPA1GPR84MEN1CYP1A2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085541-B2 Process for producing imine compounds for combating invertebrate pests BASF SE (DE) 2015-07-21 US disclosed
EP-2585443-B1 PROCESS FOR PRODUCING IMINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2015-02-18 EP disclosed
EP-2585443-A1 PROCESS FOR PRODUCING IMINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2013-05-01 EP disclosed
US-20130102462-A1 Process for Producing Imine Compounds for Combating Invertebrate Pests BASF SE (DE) 2013-04-25 US disclosed
WO-2011161130-A1 PROCESS FOR PRODUCING IMINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-12-29 WO 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-20130102462-A1 Process for Producing Imine Compounds for Combating Invertebrate Pests TYR, TH, IDO1 TRPA1 193/4885GPR84 4399/4885MEN1 2172/4885

“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.