SCHEMBL3466137

SCHEMBL3466137

O=[N+]([O-])c1c([N+](=O)[O-])c([N+](=O)[O-])c2c(sc3ccccc32)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ TNKS O95271 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ S100A4 P26447 1/20 0.41
▸ CYP19A1 P11511 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GPR3 P46089 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HCRTR1 O43613 1/20 0.36

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
SCHEMBL15954596 0.89 MAPT (0.45) KMT2ALMNAMAPTMEN1HPGD
SCHEMBL22601489 0.81 LMNA (0.41) KMT2ALMNAMAPTMEN1HPGD
SCHEMBL22601485 0.81 TNKS (0.41) KMT2ALMNAMAPTMEN1HPGD
SCHEMBL27749596 0.76 CYP3A4 (0.42) KMT2ALMNAMAPTMEN1HPGD
SCHEMBL25873178 0.74 ALDH1A1 (0.39) KMT2ALMNAMAPTMEN1HPGD
SCHEMBL25873153 0.74 ALDH1A1 (0.39) KMT2ALMNAMAPTMEN1HPGD
SCHEMBL31677913 0.73 LMNA (0.43) KMT2ALMNAMAPTMEN1HPGD
SCHEMBL18645889 0.72 MAPT (0.42) KMT2ALMNAMAPTMEN1HPGD
SCHEMBL17952462 0.72 MAPT (0.42) KMT2ALMNAMAPTMEN1HPGD
SCHEMBL28769752 0.71 HPGD (0.50) KMT2ALMNAMAPTMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2009064-B1 Organic dye, photoelectric transducing material, semiconductor electrode, and photoelectric transducing device MITSUBISHI PAPER MILLS LTD (JP) 2012-10-24 — — EP disclosed
US-7795529-B2 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device MITSUBISHI PAPER MILLS LTD. (JP) 2010-09-14 — — US disclosed
EP-1526159-B1 ORGANIC DYE, PHOTOELECTRIC TRANSDUCING MATERIAL, SEMICONDUCTOR ELECTRODE, AND PHOTOELECTRIC TRANSDUCING DEVICE MITSUBISHI PAPER MILLS LTD (JP) 2010-06-16 — — EP disclosed
US-7615640-B2 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device Mitsubishi PaperMillsLtd. (JP) 2009-11-10 — — US disclosed
EP-2009064-A2 Organic dye, photoelectric transducing material, semiconductor electrode, and photoelectric transducing device Mitsubishi Paper Mills Limited (JP) 2008-12-31 — — EP disclosed
EP-1997855-A2 Organic dye, photoelectric transducing material, semiconductor electrode, and photoelectric transducing device Mitsubishi Paper Mills Limited (JP) 2008-12-03 — — EP disclosed
US-20080149175-A1 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device HORIUCHI TAMOTSU 2008-06-26 — — US disclosed
US-20080087327-A1 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device HORIUCHI TAMOTSU 2008-04-17 — — US disclosed
EP-1526159-A1 ORGANIC DYE, PHOTOELECTRIC TRANSDUCING MATERIAL, SEMICONDUCTOR ELECTRODE, AND PHOTOELECTRIC TRANSDUCING DEVICE MITSUBISHI PAPER MILLS LIMITED (JP) 2005-04-27 — — EP disclosed
US-20040256002-A1 Organic dye, photoelectric transducing material, semiconductor electrode, and photoelectric transducing device MITSUBISHI PAPER MILLS LTD. (JP) 2004-12-23 — — 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 (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-20080149175-A1 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device FTO, PPOX, CDH1 KMT2A 2051/4885LMNA 1662/4885MAPT 1306/4885
US-20080087327-A1 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device FTO, PPOX, CDH1 KMT2A 2051/4885LMNA 1662/4885MAPT 1306/4885

“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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