SCHEMBL1934172

SCHEMBL1934172

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ACHE P22303 1/20 0.50
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ACP3 P15309 1/20 0.49
HSP90AA1 P07900 1/20 0.49
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 2/20 0.45
GAA P10253 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 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 0.88 KMT2A (0.56) TSHRLMNAKMT2AMEN1HPGD
SCHEMBL1935340 0.82 L3MBTL1 (0.51) TSHRLMNAKMT2AMEN1HPGD
SCHEMBL254876 0.82 TSHR (0.61) TSHRLMNAKMT2AMEN1HPGD
SCHEMBL9026172 0.80 TSHR (0.59) TSHRLMNAKMT2AMEN1HPGD
SCHEMBL1933903 0.79 TSHR (0.48) TSHRLMNAKMT2AMEN1HPGD
SCHEMBL2545597 0.79 MEN1 (0.61) TSHRLMNAKMT2AMEN1HPGD
SCHEMBL6359586 0.79 TSHR (0.57) TSHRLMNAKMT2AMEN1HPGD
SCHEMBL2540712 0.79 TSHR (0.57) TSHRLMNAKMT2AMEN1HPGD
SCHEMBL10654030 0.79 TSHR (0.57) TSHRLMNAKMT2AMEN1HPGD
SCHEMBL2433538 0.79 TSHR (0.57) TSHRLMNAKMT2AMEN1HPGD

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 7 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
US-4754069-A PHENOLIC COUPLERS WELLA AKTIENGESELLSCHAFT (DE) 1988-06-28 US disclosed
EP-0166155-B1 2-ALKYLSULPHONYL-1,4-DIAMINOBENZENES, PROCESS FOR THEIR PREPARATION AND OXIDATIVE HAIR-DYEING COMPOSITIONS CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 1987-09-23 EP disclosed
WO-1986000303-A1 TWO-ALKYL-SULPHONYL-1,4-DIAMINOBENZENES, PREPARATION THEREOF AND UTILISATION THEREOF WELLA AKTIENGESELLSCHAFT (DE) 1986-01-16 WO disclosed
EP-0166155-A1 2-Alkylsulphonyl-1,4-diaminobenzenes, process for their preparation and oxidative hair-dyeing compositions containing these compounds Wella Aktiengesellschaft (DE) 1986-01-02 EP 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 4086/4885KMT2A 1008/4885

“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.