SCHEMBL3210262

SCHEMBL3210262

O=C(OCCN(S)C(=O)NC1CCc2ccccc21)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CRBN Q96SW2 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
EPHX2 P34913 2/20 0.38

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
SCHEMBL3213851 0.85 MEN1 (0.46) P2RX7TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL3205712 0.81 TAS1R3 (0.39) P2RX7TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL3210251 0.79 MEN1 (0.48) P2RX7KMT2AMEN1POLBALDH1A1
SCHEMBL3208894 0.79 ALDH1A1 (0.44) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL3219949 0.77 ALDH1A1 (0.53) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL3221372 0.73 ALDH1A1 (0.53) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL3210493 0.72 ALDH1A1 (0.62) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL29563786 0.70 HTT (0.65) TAS1R3TAS1R1TAS1R2KMT2AALDH1A1
SCHEMBL11746761 0.68 ALDH1A1 (0.64) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL3223116 0.68 PDE10A (0.41) P2RX7TAS1R3TAS1R1TAS1R2

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 6 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-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
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 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-20100048699-A1 CHEMICAL COMPOUNDS ACHE, TYR, SGMS1 P2RX7 1342/4885TAS1R3 816/4885TAS1R1 527/4885

“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.