SCHEMBL6099487

SCHEMBL6099487

O=[N+]([O-])c1cccc(C2=CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A4 P31645 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
IDO1 P14902 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL31518345 1.00 TSHR (0.48) TSHRLMNAKMT2ASLC6A4SMN1; SMN2
SCHEMBL9084505 0.95 LMNA (0.50) TSHRLMNAKMT2ASLC6A4SMN1; SMN2
SCHEMBL9484185 0.87 TSHR (0.55) TSHRLMNAKMT2ASLC6A4SMN1; SMN2
SCHEMBL2650048 0.82 MAPT (0.46) LMNAKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2727443 0.78 CYP19A1 (0.54) TSHRLMNAKMT2ASMN1; SMN2MAPT
SCHEMBL27569483 0.78 TSHR (0.61) TSHRLMNAKMT2ASLC6A4SMN1; SMN2
SCHEMBL2573156 0.76 THRB (0.49) LMNAKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL17736221 0.76 TDP1 (0.60) TSHRLMNAKMT2AMAPTALDH1A1
SCHEMBL22832713 0.76 MAPK14 (0.50) TSHRLMNAKMT2ASMN1; SMN2MAPT
SCHEMBL4789895 0.76 HTR2C (0.57) TSHRLMNASLC6A4SMN1; SMN2MAPT

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-7084176-B2 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2006-08-01 US disclosed
US-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-09 US disclosed
EP-1403235-A1 N-ARYLPHENYLACETAMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2004-03-31 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-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same HRH2, CCR8, CYP2C8 TSHR 3162/4885LMNA 3086/4885KMT2A 1631/4885

“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.