SCHEMBL2333468

SCHEMBL2333468

Cc1ccc(-c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 6/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HTT P42858 3/20 0.51
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 5/20 0.50
CYP3A4 P08684 1/20 0.50
GPR35 Q9HC97 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MITF O75030 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
LMNA P02545 2/20 0.47
CCR6 P51684 1/20 0.47

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
SCHEMBL5958782 0.82 CYP19A1 (0.65) HSD17B10MAPTMEN1KMT2AALDH1A1
SCHEMBL27815805 0.81 GPR35 (0.52) HSD17B10MAPTMEN1KMT2AALDH1A1
SCHEMBL5958789 0.81 HSP90AA1 (0.59) HSD17B10MAPTMEN1KMT2AALDH1A1
SCHEMBL28366256 0.79 ACHE (0.57) ACHEHSD17B10MAPTMEN1KMT2A
SCHEMBL2137448 0.79 CYP19A1 (0.67) ACHEHSD17B10MAPTMEN1KMT2A
SCHEMBL28300093 0.78 GPR35 (0.58) HSD17B10MAPTMEN1KMT2AALDH1A1
SCHEMBL16656172 0.78 HSP90AA1 (0.47) ACHEHSD17B10MAPTMEN1KMT2A
SCHEMBL2822069 0.77 ALDH1A1 (0.58) HSD17B10MAPTMEN1KMT2AALDH1A1
SCHEMBL628918 0.76 ACHE (0.86) ACHEHSD17B10MAPTMEN1KMT2A
Trinitrotoluene SCHEMBL20676 0.73 ALDH1A1 (0.61) HSD17B10MAPTMEN1KMT2AALDH1A1

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
EP-1126788-B1 SYSTEM FOR RADIOGRAPHIC IMAGING OF TISSUE VERITAS PHARMACEUTICALS (US) 2011-08-24 EP disclosed
US-6923950-B2 System and method for radiographic imaging of tissue VERITAS PHARMACEUTICALS, INC. (US) 2005-08-02 US disclosed
US-20030091508-A1 System and method for radiographic imaging of tissue VERITAS PHARMACEUTICALS, INC. 2003-05-15 US disclosed
EP-1126788-A2 SYSTEM AND METHOD FOR RADIOGRAPHIC IMAGING OF TISSUE Veritas Pharmaceuticals (US) 2001-08-29 EP disclosed
US-20010001011-A1 System and method for radiographic imaging of tissue SALB JESSE (US) 2001-05-10 US disclosed
US-6226352-B1 System and method for radiographic imaging of tissue VERITAS PHARMACEUTICALS, INC. 2001-05-01 US disclosed
WO-2000013590-A2 SYSTEM AND METHOD FOR RADIOGRAPHIC IMAGING OF TISSUE VERITAS PHARMACEUTICALS (US) 2000-03-16 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 (2 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-20010001011-A1 System and method for radiographic imaging of tissue HK1, HK2, SLC2A8 ACHE 1525/4885HSD17B10 1606/4885MAPT 3964/4885
US-20030091508-A1 System and method for radiographic imaging of tissue HK1, HK2, SLC2A8 ACHE 1525/4885HSD17B10 1606/4885MAPT 3964/4885

“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.