SCHEMBL2128235

SCHEMBL2128235

CC(C[N+](=O)[O-])C[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 5/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 6/20 0.35
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL264872 0.85
SCHEMBL11155338 0.83
SCHEMBL3834646 0.83
SCHEMBL18463625 0.83 CPA1 (0.54) CPA1TSHR
SCHEMBL27994583 0.83
SCHEMBL17318330 0.81
SCHEMBL11313334 0.81 CPA1 (0.38) CPA1TSHRALDH1A1
SCHEMBL1170344 0.80
SCHEMBL3278706 0.80 CPA1 (0.44) CPA1TSHRALDH1A1TDP1HPGD
SCHEMBL4454910 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883324-B2 Aromatic amine derivative and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2014-11-11 US disclosed
EP-1834945-B1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO (JP) 2014-07-30 EP disclosed
US-20120302793-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. 2012-11-29 US disclosed
US-20120228594-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-09-13 US disclosed
US-20120184776-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 US disclosed
US-20120135904-A1 LUBRICANT COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
EP-2444474-A1 LUBRICANT COMPOSITION Idemitsu Kosan Co., Ltd. (JP) 2012-04-25 EP disclosed
EP-2371810-A1 Aromatic amine derivative and organic electroluminescent device using same Idemitsu Kosan Co., Ltd. (JP) 2011-10-05 EP disclosed
US-20100029669-A1 3-(SUBSTITUTED ETHYL)-RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA, NV (BE) 2010-02-04 US disclosed
US-20080303417-A1 Aromatic Amine Derivative and Organic Electroluminescent Device Using Same IDEMITSU KOSAN CO., LTD. (JP) 2008-12-11 US disclosed
EP-1834945-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-09-19 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 (5 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-20120184776-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME EML4, DDC, ALKBH2 CPA1 4430/4885TSHR 4429/4885ALDH1A1 578/4885
US-20120302793-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME NAT1, AFF1, AOC2 CPA1 3665/4885TSHR 568/4885ALDH1A1 103/4885
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME EML4, DDC, ALKBH2 CPA1 4413/4885TSHR 4439/4885ALDH1A1 645/4885
US-20100029669-A1 3-(SUBSTITUTED ETHYL)-RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, RPS27, MRPL21 CPA1 4694/4885TSHR 2902/4885ALDH1A1 2109/4885
US-20080303417-A1 Aromatic Amine Derivative and Organic Electroluminescent Device Using Same DDC, AOC2, ALKBH2 CPA1 4464/4885TSHR 4448/4885ALDH1A1 238/4885

“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.