SCHEMBL163641

SCHEMBL163641

N#CC(=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-])C(O)C#N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.70
MAPK1 P28482 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
HSP90AA1 P07900 1/20 0.41
EGFR P00533 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GPR35 Q9HC97 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
PTPRC P08575 3/20 0.35
S100A4 P26447 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL163640 1.00 HPRT1 (0.70) HPRT1MAPK1KDM4EMAPTTDP1
SCHEMBL1034255 0.83 HPRT1 (1.00) HPRT1MAPK1KDM4EMAPTTDP1
SCHEMBL29413354 0.83 HPRT1 (1.00) HPRT1MAPK1KDM4EMAPTTDP1
SCHEMBL30309848 0.83 HPRT1 (1.00) HPRT1MAPK1KDM4EMAPTTDP1
SCHEMBL11573692 0.78 HPRT1 (0.42) HPRT1MAPK1KDM4EMAPTTDP1
SCHEMBL12630329 0.78 HPRT1 (0.72) HPRT1MAPK1KDM4EMAPTTDP1
SCHEMBL11412359 0.74 HPRT1 (0.66) HPRT1MAPK1KDM4EMAPTTDP1
SCHEMBL11355088 0.73 HPRT1 (0.58) HPRT1MAPK1KDM4EMAPTTDP1
SCHEMBL11587922 0.73 HPRT1 (0.81) HPRT1MAPK1KDM4EMAPTTDP1
SCHEMBL3466856 0.71 HPRT1 (0.79) HPRT1MAPK1KDM4EMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100096603-A1 OPTICAL DEVICES RESPONSIVE TO NEAR INFRARED LASER AND METHODS OF MODULATING LIGHT NITTO DENKO CORPORATION (JP) 2010-04-22 US claimed
US-20130341574-A1 PHOTOREFRACTIVE COMPOSITION AND DEVICE COMPRISING THE COMPOSITION NITTO DENKO CORPORATION (JP) 2013-12-26 US disclosed
US-20130341573-A1 PHOTOREFRACTIVE COMPOSITION COMPRISING ELECTROLYTES IN A PHOTOREFRACTIVE LAYER AND METHOD OF MAKING THEREOF NITTO DENKO CORPORATION (JP) 2013-12-26 US disclosed
EP-2616878-A1 PHOTOREFRACTIVE DEVICE CONTAINING A CHROMOPHORE-DOPED POLYMER LAYER AND ITS MANUFACTURING METHOD Nitto Denko Corporation (JP) 2013-07-24 EP disclosed
EP-2612198-A1 SYSTEMS AND METHODS FOR IMPROVING THE PERFORMANCE OF A PHOTOREFRACTIVE DEVICE BY UTILIZING ELECTROLYTES Nitto Denko Corporation (JP) 2013-07-10 EP disclosed
US-20130170016-A1 PHOTOREFRACTIVE DEVICE CONTAINING A CHROMOPHORE-DOPED POLYMER LAYER AND ITS MANUFACTURING METHOD NITTO DENKO CORPORATION (JP) 2013-07-04 US disclosed
US-20130163086-A1 SYSTEMS AND METHODS FOR IMPROVING THE PERFORMANCE OF A PHOTOREFRACTIVE DEVICE BY UTILIZING ELECTROLYTES NITTO DENKO CORPORATION (JP) 2013-06-27 US disclosed
WO-2013075050-A1 PHOTOREFRACTIVE DEVICE CONTAINING CARBON NANOTUBE-DOPED POLYMER LAYERS AND ITS MANUFACTURING METHOD NITTO DENKO CORPORATION (JP) 2013-05-23 WO disclosed
WO-2012116105-A1 A PHOTOREFRACTIVE COMPOSITION AND DEVICE COMPRISING THE COMPOSITION NITTO DENKO CORPORATION (JP) 2012-08-30 WO disclosed
WO-2012116071-A1 PHOTOREFRACTIVE COMPOSITION COMPRISING ELECTROLYTES IN A PHOTOREFRACTIVE LAYER AND METHOD OF MAKING THEREOF NITTO DENKO CORPORATION (JP) 2012-08-30 WO disclosed
WO-2012037143-A1 PHOTOREFRACTIVE DEVICE CONTAINING A CHROMOPHORE-DOPED POLYMER LAYER AND ITS MANUFACTURING METHOD NITTO DENKO CORPORATION (JP) 2012-03-22 WO disclosed
WO-2012031025-A1 SYSTEMS AND METHODS FOR IMPROVING THE PERFORMANCE OF A PHOTOREFRACTIVE DEVICE BY UTILIZING ELECTROLYTES NITTO DENKO CORPORATION (JP) 2012-03-08 WO disclosed
US-20100096603-A1 OPTICAL DEVICES RESPONSIVE TO NEAR INFRARED LASER AND METHODS OF MODULATING LIGHT NITTO DENKO CORPORATION (JP) 2010-04-22 US disclosed
WO-2006055919-A2 ELECTROOPTIC CHROMOPHORES WITH LARGE OPTICAL BIREFRINGENCE FOR APPLICATIONS AT HIGH SPEED AND SHORT WAVELENGTHS OPTIMER PHOTONICS, INC. (US) 2006-05-26 WO disclosed
US-20060106262-A1 Electrooptic chromophores with large optical birefringence for applications at high speed and short wavelengths OPTIMER PHOTONICS, INC. 2006-05-18 US disclosed
US-20040242841-A1 Methods for extending amorphous photorefractive material lifetimes NITTO DENKO CORPORATION (JP) 2004-12-02 US disclosed
WO-2004082362-A2 METHODS FOR EXTENDING AMORPHOUS PHOTOREFRACTIVE MATERIAL LIFETIMES NITTO DENKO CORPORATION (JP) 2004-09-30 WO disclosed
EP-1172700-A2 Photoconductive imaging members Xerox Corporation (US) 2002-01-16 EP disclosed
US-6322941-B1 PHOTOGENERATING LAYER COMPRISED OF A MIXTURE OF 1,3-BIS (N-PENTYLIMIDOPERYLENEIMIDO) PROPANE, 1,3-BIS(2-METHYL BUTYLIMIDO PERYLENEIMIDO)PROPANE, AND 1-(N-PENTYLIMIDO PERYLENEIMIDO)-3-(2-METHYLBUTYLIMIDOPERYLENEIMIDO)-PROPANE XEROX CORPORATION 2001-11-27 US disclosed
US-6194110-B1 Imaging members XEROX CORPORATION 2001-02-27 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 (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-20060106262-A1 Electrooptic chromophores with large optical birefringence for applications at high speed and short wavelengths EYA2, CRY2, EYA3 HPRT1 1346/4885MAPK1 3790/4885KDM4E 1086/4885

“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.