SCHEMBL3194863

SCHEMBL3194863

O=[N+]([O-])c1cc(Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.59
▸ TSHR P16473 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ VCAM1 P19320 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ ALOX5 P09917 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ DDX3X O00571 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ HSD17B10 Q99714 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
SCHEMBL6841660 0.84 MEN1 (0.59) CYP19A1TSHRLMNAHPGDALOX12
SCHEMBL28000534 0.84 L3MBTL1 (0.52) CYP19A1HPGDALOX12L3MBTL1ALDH1A1
SCHEMBL212845 0.83 CYP19A1 (0.81) CYP19A1TSHRLMNAHPGDALOX12
SCHEMBL2835935 0.80 CYP19A1 (0.54) CYP19A1TSHRLMNAVCAM1SMN1; SMN2
SCHEMBL1140774 0.80 CYP19A1 (0.54) CYP19A1TSHRLMNAVCAM1SMN1; SMN2
SCHEMBL16541066 0.80 CYP19A1 (0.77) CYP19A1TSHRLMNAHPGDALOX12
SCHEMBL9789472 0.80 CYP19A1 (0.77) CYP19A1TSHRLMNAHPGDALOX12
SCHEMBL9789477 0.80 CYP19A1 (0.77) CYP19A1TSHRLMNAHPGDALOX12
SCHEMBL29395454 0.80 CYP19A1 (0.77) CYP19A1TSHRLMNAHPGDALOX12
Benzene SCHEMBL2793854 0.77 CYP19A1 (0.72) CYP19A1TSHRLMNAVCAM1SMN1; SMN2

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-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 — — US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 — — US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 — — 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-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 CYP19A1 2730/4885TSHR 4396/4885LMNA 2051/4885

“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.

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