SCHEMBL6097282

SCHEMBL6097282

CC(=O)Nc1ccccc1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
RORC P51449 1/20 0.51
KMT2A Q03164 4/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
NPC1 O15118 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL7522410 0.82 L3MBTL1 (0.71) HTTL3MBTL1POLBSMN1; SMN2ALDH1A1
SCHEMBL9167530 0.81 L3MBTL1 (0.56) KMT2AHTTL3MBTL1MEN1SMN1; SMN2
SCHEMBL6096285 0.81 L3MBTL1 (0.56) KMT2AHTTL3MBTL1MEN1POLB
SCHEMBL28055704 0.81 PTPRF (0.56) CYP19A1KMT2AHTTL3MBTL1MEN1
SCHEMBL11780366 0.80 RAB9A (0.55) CYP19A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL6097904 0.80 L3MBTL1 (0.55) HTTL3MBTL1POLBSMN1; SMN2ALDH1A1
SCHEMBL13240460 0.78 KMT2A (0.49) KMT2AHTTMEN1POLBMAPT
SCHEMBL28220176 0.77 ALDH1A1 (0.58) KMT2AHTTL3MBTL1MEN1POLB
SCHEMBL8813875 0.77 MAPT (0.55) CYP19A1RORCKMT2AMEN1POLB
SCHEMBL7484877 0.77 TSHR (0.58) KMT2AL3MBTL1MEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115745-B2 Benzyl urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-10-03 US disclosed
US-20050107427-A1 Benzyl urea and thiourea derivatives DU DANIEL Y (US) 2005-05-19 US 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-20050107427-A1 Benzyl urea and thiourea derivatives BRDT, TAS2R8, FSHR CYP19A1 31/4885RORC 398/4885KMT2A 2199/4885

“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.