SCHEMBL3219949

SCHEMBL3219949

O=C(NC1CCc2ccccc21)N(S)CCO

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TAS1R3 Q7RTX0 6/20 0.51
TAS1R1 Q7RTX1 6/20 0.51
TAS1R2 Q8TE23 5/20 0.51
HTT P42858 3/20 0.48
EPHX2 P34913 2/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3210493 0.94 ALDH1A1 (0.62) ALDH1A1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL11746761 0.82 ALDH1A1 (0.64) ALDH1A1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL3209924 0.80 PDE10A (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL1999696 0.80 TRPV1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL3208894 0.80 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL3754302 0.79 MTNR1A (0.59)
SCHEMBL3213851 0.78 MEN1 (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL9315497 0.77 ALDH1A1 (0.48) ALDH1A1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL3210262 0.77 P2RX7 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL3219218 0.77 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US claimed
EP-2043444-A1 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2009-04-08 EP claimed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 WO claimed
US-7674827-B2 Indanyl- and tetrahydronaphtyl-amino-thiourea compounds for combating animal pests BASF SE (DE) 2010-03-09 US disclosed
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
EP-2043444-A1 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2009-04-08 EP disclosed
US-20090075819-A1 Indanyl- and Tetrahydronaphtyl-amino-thiourea Compounds for Combating Animal Pests BASF SE (DE) 2009-03-19 US disclosed
EP-1957447-A1 INDANYL-AND TETRAHYDRONAPHTYL-AMINO-THIOUREA COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-08-20 EP disclosed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 WO disclosed
WO-2007060120-A1 INDANYL-AND TETRAHYDRONAPHTYL-AMINO-THIOUREA COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2007-05-31 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 (2 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-20100048699-A1 CHEMICAL COMPOUNDS ACHE, TYR, SGMS1 ALDH1A1 128/4885TAS1R3 816/4885TAS1R1 527/4885
US-20090075819-A1 Indanyl- and Tetrahydronaphtyl-amino-thiourea Compounds for Combating Animal Pests AHCYL1, AHCY, TST ALDH1A1 2138/4885TAS1R3 108/4885TAS1R1 69/4885

“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.