SCHEMBL888140

SCHEMBL888140

O=[N+]([O-])c1cc(I)ccc1CBr

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
SNCA P37840 3/20 0.39
ALOX15 P16050 2/20 0.38
ALOX12 P18054 1/20 0.38
PDK1 Q15118 1/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PARP1 P09874 1/20 0.34
CYP3A4 P08684 2/20 0.33
P2RY6 Q15077 1/20 0.33
HPGD P15428 1/20 0.33
IDO1 P14902 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL1665203 0.91 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4HPGDTDP1
SCHEMBL14676339 0.81 CYP1A2 (0.40) CYP1A2SNCAALOX15ALOX12PDK1
SCHEMBL888064 0.81 CYP1A2 (0.44) CYP1A2SNCAALOX15ALOX12PDK1
SCHEMBL14713516 0.81 TDP1 (0.52) CYP1A2SNCAALOX15ALOX12PDK1
SCHEMBL2064927 0.81 FBP1 (0.46) CYP1A2SNCAALOX15ALOX12PDK1
SCHEMBL4428319 0.80 CYP1A2 (0.39) CYP1A2SNCAALOX15PDK1TSHR
SCHEMBL28388901 0.80 CYP1A2 (0.39) CYP1A2SNCAALOX15ALOX12PDK1
SCHEMBL1665327 0.80 CYP1A2 (0.42) CYP1A2SNCAALOX15ALOX12PDK1
SCHEMBL29836036 0.80 CYP1A2 (0.42) CYP1A2SNCAALOX15ALOX12PDK1
SCHEMBL136817 0.79 CYP1A2 (0.62) CYP1A2TSHRALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105516-A Photocleavable fluorescent labeling compounds and uses 深圳市真迈生物科技有限公司 2021-07-13 CN disclosed
EP-3112340-B1 METHOD FOR PRODUCING 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO, AND PRECURSOR OF 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO STELLA PHARMA CORP (JP) 2020-07-15 EP disclosed
EP-2307565-B1 REVERSIBLE NUCLEOSIDES AND NUCLEOTIDES TERMINATORS AND THEIR USE IN DNA SEQUENCING LASERGEN INC (US) 2017-11-29 EP disclosed
EP-2307565-B1 REVERSIBLE NUCLEOSIDES AND NUCLEOTIDES TERMINATORS AND THEIR USE IN DNA SEQUENCING LASERGEN INC (US) 2017-11-29 EP disclosed
CN-106188197-A Photocleavable fluorescent labeling compounds and uses 深圳市瀚海基因生物科技有限公司 2016-12-07 CN disclosed
EP-2125856-B1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN INC (US) 2016-09-14 EP disclosed
CN-102443030-B The Nucleotide of the labeled nucleotide that light can rupture and nucleosides and mark and nucleosides and its using method in DNA sequencing LASERGEN INC. (US) 2015-12-16 CN disclosed
US-9200319-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-12-01 US disclosed
US-9200319-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-12-01 US disclosed
US-9200319-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-12-01 US disclosed
WO-2008070749-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2008-06-12 WO disclosed
US-20080132692-A1 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing AGILENT TECHNOLOGIES, INC. 2008-06-05 US disclosed
US-7323570-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2008-01-29 US disclosed
US-7211595-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2007-05-01 US disclosed
US-20060264476-A1 Farnesyltransferase Inhibitors ABBVIE INC. 2006-11-23 US disclosed
EP-1339695-B1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LAB (US) 2006-04-19 EP disclosed
EP-1339695-A1 FARNESYLTRANSFERASE INHIBITORS Abbott Laboratories (US) 2003-09-03 EP disclosed
US-20030087940-A1 Farnesyltransferase inhibitors ABBVIE INC. 2003-05-08 US disclosed
WO-2002074747-A1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LABORATORIES (US) 2002-09-26 WO disclosed
US-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents ABBOTT LABORATORIES 2002-08-22 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 (4 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-20080132692-A1 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing UNG, DCLRE1B, NT5C3B CYP1A2 4047/4885SNCA 2795/4885ALOX15 3573/4885
US-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents FNTB, FNTA, ACAT2 CYP1A2 1241/4885SNCA 4853/4885ALOX15 3505/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS CYP1A2 595/4885SNCA 4861/4885ALOX15 1991/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS CYP1A2 497/4885SNCA 4880/4885ALOX15 2029/4885

“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.