SCHEMBL1167741

SCHEMBL1167741

O=[N+]([O-])C(Br)(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
FBP1 P09467 4/20 0.38
TSHR P16473 2/20 0.36
KCNN4 O15554 1/20 0.36
CYP19A1 P11511 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CRHR2 Q13324 1/20 0.34
TLR9 Q9NR96 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
PTPN1 P18031 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL114442 0.82 ALDH1A1 (0.46) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL4613619 0.80 ALDH1A1 (0.44) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL4615537 0.78 ALDH1A1 (0.42) ALDH1A1LMNAFBP1CYP19A1TDP1
SCHEMBL27936749 0.78 ALDH1A1 (0.42) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL28383675 0.77 ALDH1A1 (0.46) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL1194233 0.77 ALDH1A1 (0.46) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL20942950 0.76 ALDH1A1 (0.44) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL11689491 0.76 TSHR (0.44) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL8932003 0.76 MAPT (0.43) ALDH1A1LMNAFBP1KCNN4KMT2A
SCHEMBL3037176 0.75 ALDH1A1 (0.44) ALDH1A1LMNAFBP1TSHRKCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103097946-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element using same NISSAN CHEMICAL IND LTD 2013-05-08 CN disclosed
US-8193370-B2 Alanine racemase chiral binaphthol derivative with powerful hydrogen bond donor, and optical resolution and optical transformation methods using the same Aminolux Co., Ltd. (KR) 2012-06-05 US disclosed
US-20110040101-A1 ALANINE RACEMASE CHIRAL BINAPHTHOL DERIVATIVE WITH POWERFUL HYDROGEN BOND DONOR, AND OPTICAL RESOLUTION AND OPTICAL TRANSFORMATION METHODS USING THE SAME GREEN FORMULA CO. LTD. (KR) 2011-02-17 US disclosed
US-7847124-B2 Alanine racemase chiral binaphthol derivative with powerful hydrogen bond donor, and optical resolution and optical transformation methods using the same GREEN FORMULA CO., LTD. (KR) 2010-12-07 US disclosed
EP-2189444-A1 Chiral binaphtol derivatives as alanine racemase mimics with powerful hydrogen bond donors: their use for optical resolution and optical inversion Green Formula Co., Ltd. (KR) 2010-05-26 EP disclosed
EP-2189434-A1 Chiral binaphtol derivatives as alanine racemase mimics with powerful hydrogen bond donors: their use for optical resolution and optical inversion Green Formula Co., Ltd. (KR) 2010-05-26 EP disclosed
EP-2189433-A1 Chiral binaphtol derivatives as alanine racemase mimics with powerful hydrogen bond donors: their use for optical resolution and optical inversion Green Formula Co., Ltd. (KR) 2010-05-26 EP disclosed
US-20090023931-A1 ALANINE RACEMASE CHIRAL BINAPHTHOL DERIVATIVE WITH POWERFUL HYDROGEN BOND DONOR, AND OPTICAL RESOLUTION AND OPTICAL TRANSFORMATION METHODS USING THE SAME EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2009-01-22 US disclosed
EP-2017244-A2 Chiral binaphtol derivatives as alanine racemase mimics with powerful hydrogen bond donors: their use for optical resolution and optical inversion Green Formula Co., Ltd. (KR) 2009-01-21 EP disclosed
CN-100395662-C Photosensitive polysilazane composition, method of forming pattern therefrom, and method of burning coating film thereof CLARIANT INT LTD (JP) 2008-06-18 CN disclosed
CN-1675590-A Photosensitive composition for interlayer dielectric and method of forming patterned interlayer dielectric AZ ELECTRONIC MATERIALS JAPAN (JP) 2005-09-28 CN disclosed
CN-1668981-A Photosensitive composition for interlayer dielectric and method of forming patterned interlayer dielectric AZ ELECTRONIC MATERIALS JAPAN (JP) 2005-09-14 CN disclosed
EP-1560069-A1 PHOTOSENSITIVE COMPOSITION FOR INTERLAYER DIELECTRIC AND METHOD OF FORMING PATTERNED INTERLAYER DIELECTRIC AZ Electronic Materials (Japan) K.K. (JP) 2005-08-03 EP disclosed
EP-1548499-A1 PHOTOSENSITIVE COMPOSITION FOR INTERLAYER DIELECTRIC AND METHOD OF FORMING PATTERNED INTERLAYER DIELECTRIC AZ Electronic Materials (Japan) K.K. (JP) 2005-06-29 EP disclosed
US-6902875-B2 Photosensitive polysilazane composition, method of forming pattern therefrom, and method of burning coating film thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2005-06-07 US disclosed
US-20040081912-A1 Photosensitive polysilazane composition and method of forming patterned polysilazane film AZ ELECTRONIC MATERIALS USA CORP. 2004-04-29 US disclosed
US-20030113657-A1 Photosensitive ploysilazane composition, method of forming pattern therefrom, and method of burning coating film thereof MERCK PATENT GMBH (DE) 2003-06-19 US disclosed
CN-1388920-A Photosensitive polysilazane composition, method of forming pattern therefrom, and method of burning coating film thereof CLARIANT INT LTD (CH) 2003-01-01 CN disclosed
EP-1239332-A1 PHOTOSENSITIVE POLYSILAZANE COMPOSITION, METHOD OF FORMING PATTERN THEREFROM, AND METHOD OF BURNING COATING FILM THEREOF CLARIANT INTERNATIONAL LTD. (CH) 2002-09-11 EP disclosed
EP-1164435-A1 PHOTOSENSITIVE POLYSILAZANE COMPOSITION AND METHOD OF FORMING PATTERNED POLYSILAZANE FILM TonenGeneral Sekiyu K.K. (JP) 2001-12-19 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 (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-20110040101-A1 ALANINE RACEMASE CHIRAL BINAPHTHOL DERIVATIVE WITH POWERFUL HYDROGEN BOND DONOR, AND OPTICAL RESOLUTION AND OPTICAL TRANSFORMATION METHODS USING THE SAME ALAD, BCAT1, BCAT2 ALDH1A1 561/4885LMNA 2656/4885FBP1 494/4885
US-20090023931-A1 ALANINE RACEMASE CHIRAL BINAPHTHOL DERIVATIVE WITH POWERFUL HYDROGEN BOND DONOR, AND OPTICAL RESOLUTION AND OPTICAL TRANSFORMATION METHODS USING THE SAME ALAD, BCAT1, BCAT2 ALDH1A1 561/4885LMNA 2656/4885FBP1 494/4885

“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.