SCHEMBL1933903

SCHEMBL1933903

CCC(SC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
ACHE P22303 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
ACP3 P15309 1/20 0.46
HSP90AA1 P07900 1/20 0.45
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX5 P09917 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL1936017 0.86 TSHR (0.47) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL1934172 0.79 TSHR (0.53) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL10609292 0.79 TSHR (0.53) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL18896279 0.79 KMT2A (0.58) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL6898173 0.78 L3MBTL1 (0.65) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL2509178 0.78 L3MBTL1 (0.65) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL1935373 0.78 TSHR (0.52) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL16809247 0.78 TSHR (0.52) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL14040087 0.78 TSHR (0.52) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL7009326 0.78 TSHR (0.52) TSHRLMNAL3MBTL1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
EP-2331512-A1 ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025833-A1 ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 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-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines HAX1, AGPS, PYM1 TSHR 3111/4885LMNA 4086/4885L3MBTL1 449/4885

“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.