SCHEMBL305524

SCHEMBL305524

O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.57
▸ HPGD P15428 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ ALOX12 P18054 2/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ CSNK2A1 P68400 1/20 0.57
▸ PRMT1 Q99873 1/20 0.53
▸ THRB P10828 4/20 0.52
▸ MAPT P10636 6/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ PTPRA P18433 1/20 0.49
▸ PTPRB P23467 1/20 0.49

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
SCHEMBL29355385 1.00 TSHR (0.57) TSHRHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL305525 1.00 TSHR (0.57) TSHRHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL11023727 0.90 CYP1A2 (0.59) TSHRHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL30124927 0.90 CYP1A2 (0.59) TSHRHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL11023723 0.90 CYP1A2 (0.59) TSHRHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL11850429 0.89 CYP1A2 (0.58) TSHRHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL11850418 0.89 CYP1A2 (0.58) TSHRHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL11850423 0.89 CYP1A2 (0.58) TSHRHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL7113087 0.89 HPGD (0.57) TSHRHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL7113084 0.89 HPGD (0.57) TSHRHPGDCYP1A2CYP2C9CYP2C19

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140170591-A1 DENTAL ARCH MODEL AND METHOD OF MAKING THE SAME GLOBAL FILTRATION SYSTEMS, A DBA OF GULF FILTRATION SYSTEMS INC. (US) 2014-06-19 — — US claimed
US-8092963-B2 Toner compositions XEROX CORPORATION (US) 2012-01-10 — — US claimed
US-9539072-B2 Method of making a dental arch model GLOBAL FILTRATION SYSTEMS (US) 2017-01-10 — — US disclosed
US-9504637-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-11-29 — — US disclosed
US-9504637-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-11-29 — — US disclosed
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2016-04-21 — — US disclosed
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2016-04-21 — — US disclosed
US-9248086-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-02-02 — — US disclosed
US-9248086-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-02-02 — — US disclosed
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2015-06-25 — — US disclosed
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2015-06-25 — — US disclosed
WO-2008102019-A2 USE OF WATER-DISPERSIBLE CAROTINOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTINOID NANOPARTICLES, AND METHOD FOR TASTE MODULATION BASF SE (DE) 2008-08-28 — — WO disclosed
WO-2008102018-A2 METHOD FOR MODULATING THE TASTE OF MATERIAL COMPISITIONS CONTAINING AT LEAST ONE HIGH INTENSITY SWEETENER (HIS) BASF SE (DE) 2008-08-28 — — WO disclosed
US-7306632-B2 Leave-in color conditioner HAIRMARKER LLC (US) 2007-12-11 — — US disclosed
US-20070226919-A1 Method for Dyeing or Printing Textile Materials HUNTSMAN INTERNATIONAL LLC (US) 2007-10-04 — — US disclosed
US-20070226919-A1 Method for Dyeing or Printing Textile Materials HUNTSMAN INTERNATIONAL LLC (US) 2007-10-04 — — US disclosed
US-20050198746-A1 Leave-in color conditioner HAIRMARKER LLC 2005-09-15 — — US disclosed
US-20050028895-A1 Radiation curable precious metal preparation, transfers containing same and method for decoration FERRO GMBH (DE) 2005-02-10 — — US disclosed
EP-1291335-B1 Radiation curable precious metal composition, decalcomanias containing it and method of decorating FERRO GMBH (DE) 2004-08-11 — — EP disclosed
EP-1291335-A1 Radiation curable precious metal composition, decalcomanias containing it and method of decorating OMG AG & Co. KG (DE) 2003-03-12 — — 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 (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-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 TSHR 4752/4885HPGD 738/4885CYP1A2 1159/4885
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 TSHR 4752/4885HPGD 738/4885CYP1A2 1159/4885

“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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