SCHEMBL1935340

SCHEMBL1935340

CCSC(C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 4/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 4/20 0.46
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
ACP3 P15309 1/20 0.46
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL6011735 0.83 KMT2A (0.56) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL1936017 0.83 TSHR (0.47) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL1934172 0.82 TSHR (0.53) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL18896279 0.79 KMT2A (0.58) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL254876 0.78 TSHR (0.61) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL9026172 0.76 TSHR (0.59) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL20921363 0.76 KMT2A (0.56) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL10609292 0.76 TSHR (0.53) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL1934510 0.75 L3MBTL1 (0.51) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL1933903 0.75 TSHR (0.48) L3MBTL1MEN1HPGDKMT2ATSHR

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 L3MBTL1 449/4885MEN1 4149/4885HPGD 3446/4885

“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.