SCHEMBL18239245

SCHEMBL18239245

C#CCSc1cnc2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 4/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 6/20 0.47
MAPT P10636 5/20 0.47
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
RXFP1 Q9HBX9 3/20 0.44
PDE10A Q9Y233 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL10424587 0.77 RXFP1 (0.54) KDM4EHPGDSMN1; SMN2RAB9AMAPT
SCHEMBL7205313 0.73 HPGD (0.64) KDM4EGAAHPGDHTTSMN1; SMN2
SCHEMBL12990926 0.72 KDM4E (0.59) KDM4EGAAHPGDHTTSMN1; SMN2
SCHEMBL5191625 0.71 KDM4E (1.00) KDM4EGAAHPGDHTTSMN1; SMN2
SCHEMBL1905100 0.70 KDM4E (0.53) KDM4EGAAHPGDHTTSMN1; SMN2
SCHEMBL5717746 0.70 KDM4E (0.74) KDM4EGAAHPGDHTTSMN1; SMN2
SCHEMBL9376353 0.70 NPC1 (0.57) KDM4EGAAHPGDHTTSMN1; SMN2
SCHEMBL29163011 0.70 HTT (0.60) KDM4EGAAHPGDHTTSMN1; SMN2
SCHEMBL13768213 0.70 HPGD (0.60) KDM4EGAAHPGDHTTSMN1; SMN2
SCHEMBL10988973 0.69 HPGD (0.55) KDM4EGAAHPGDHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053175-B2 Thioether compounds as nitrification inhibitors BASF SE (DE) 2021-07-06 US disclosed
US-20180134633-A1 THIOETHER COMPOUNDS AS NITRIFICATION INHIBITORS BASF SE (DE) 2018-05-17 US disclosed
US-20180134633-A1 THIOETHER COMPOUNDS AS NITRIFICATION INHIBITORS BASF SE (DE) 2018-05-17 US disclosed
WO-2016180859-A1 THIOETHER COMPOUNDS AS NITRIFICATION INHIBITORS BASF SE (DE) 2016-11-17 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-11053175-B2 Thioether compounds as nitrification inhibitors TST, NOS1, NAT1 KDM4E 2059/4885GAA 3068/4885HPGD 682/4885
US-20180134633-A1 THIOETHER COMPOUNDS AS NITRIFICATION INHIBITORS TST, NOS1, NAT1 KDM4E 2059/4885GAA 3068/4885HPGD 682/4885

“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.