SCHEMBL1999676

SCHEMBL1999676

N#C/C=C/c1ccccc1I

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ENPP2 Q13822 1/20 0.34
DYRK1A Q13627 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
TRPA1 O75762 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL14485246 1.00 APP (0.42) APPMAP3K7TAB1KDM4EENPP2
SCHEMBL31667122 1.00 APP (0.42) APPMAP3K7TAB1KDM4EENPP2
SCHEMBL10383610 0.84 KDM4E (0.40) MAP3K7TAB1KDM4EENPP2HDAC3
SCHEMBL11043872 0.78 APP (0.42) APPNFE2L2
SCHEMBL11043873 0.78 APP (0.42) APPNFE2L2
SCHEMBL10454309 0.78 APP (0.57) APPTRPA1NFE2L2
SCHEMBL8718543 0.74 LMNA (0.56) MAP3K7TAB1KDM4EENPP2HDAC3
SCHEMBL16420002 0.74 TSHR (0.41) KDM4EENPP2
SCHEMBL21457575 0.74 HSD11B1 (0.48) KDM4EENPP2
SCHEMBL2045820 0.74 TRPA1 (0.52) KDM4ETRPA1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135327-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-05-15 US disclosed
US-20140135327-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-05-15 US disclosed
US-20140135327-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-05-15 US disclosed
EP-2078029-B1 ENANTIOMERICALLY PURE PHOSPHOINDOLE AS HIV INHIBITOR IDENIX PHARMACEUTICALS INC (US) 2014-05-14 EP disclosed
EP-2729450-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Cancer Research Technology Ltd (GB) 2014-05-14 EP disclosed
US-8486991-B2 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
WO-2013005049-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-01-10 WO disclosed
US-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. 2011-10-20 US disclosed
US-7960428-B2 (2-carbamoyl-5-chloro-1H-indol-3-yl)-[3-((E)-2-cyano-vinyl)-5-methyl-phenyl]-(S)-phosphinic acid methyl ester; Flaviviruses; bioavailability; pharmacokinetics IDENIX PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
CN-101627044-A Phosphoindoles as the enantiomer-pure of hiv inhibitor IDENIX PHARMACEUTICALS INC 2010-01-13 CN disclosed
EP-2078029-A2 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2009-07-15 EP disclosed
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. 2008-09-04 US disclosed
WO-2008042240-A9 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2008-08-07 WO disclosed
WO-2008042240-A2 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2008-04-10 WO 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 (3 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-20140135327-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, HDAC2, HDAC1 APP 4730/4885MAP3K7 2391/4885TAB1 769/4885
US-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS DUSP3, PNP, PPP5C APP 2145/4885MAP3K7 855/4885TAB1 2248/4885
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors DUSP3, PNP, PPP5C APP 2145/4885MAP3K7 855/4885TAB1 2248/4885

“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.