SCHEMBL113312

SCHEMBL113312

Cc1c(F)cc([N+](=O)[O-])c(O)c1C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
NSD2 O96028 1/20 0.43
WDR5 P61964 2/20 0.42
MAPT P10636 6/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 3/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
BLM P54132 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GPR35 Q9HC97 2/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL18373058 0.90 ALOX5 (0.48) ALOX5NSD2WDR5MAPTKMT2A
SCHEMBL18602956 0.83 NSD2 (0.51) NSD2MAPTKMT2ALMNACYP3A4
SCHEMBL11907125 0.82 ALOX5 (0.41) ALOX5NSD2WDR5MAPTKMT2A
SCHEMBL15086697 0.81 NSD2 (0.50) NSD2MAPTKMT2AMEN1LMNA
SCHEMBL114286 0.81 PTGES (0.45) ALOX5MAPTKMT2AMEN1LMNA
SCHEMBL6128434 0.80 CYP1A2 (0.40) ALOX5MAPTKMT2ALMNACYP3A4
SCHEMBL13083064 0.79 NSD2 (0.48) NSD2WDR5MAPTKMT2ALMNA
SCHEMBL13064206 0.79 NSD2 (0.48) NSD2MAPTKMT2ALMNACYP3A4
SCHEMBL114127 0.79 NSD2 (0.48) NSD2MAPTKMT2AMEN1LMNA
SCHEMBL13397787 0.78 NSD2 (0.47) NSD2WDR5MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230122651-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
CN-115448849-B Preparation method of 2-benzyloxy-3-dibenzylamino-5-fluoro-6-methylbenzoic acid phenyl ester 苏州富士莱医药股份有限公司 2023-02-03 CN disclosed
CN-115448849-A Preparation method of 2-benzyloxy-3-dibenzylamino-5-fluoro-6-methyl benzoate 苏州富士莱医药股份有限公司 2022-12-09 CN disclosed
US-20210122709-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2021-04-29 US disclosed
US-20200055813-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2020-02-20 US disclosed
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 US disclosed
US-20190002398-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-01-03 US disclosed
EP-2424834-B1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THEREOF HARVARD COLLEGE (US) 2018-07-11 EP disclosed
EP-2424834-B1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THEREOF HARVARD COLLEGE (US) 2018-07-11 EP disclosed
EP-3000805-B1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-18 EP disclosed
US-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
US-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
EP-2424834-A2 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO President and Fellows of Harvard College (US) 2012-03-07 EP disclosed
US-20110269714-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-11-03 US disclosed
US-20110269714-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-11-03 US disclosed
WO-2010129057-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed
WO-2010126607-A2 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-11-04 WO disclosed
WO-2010126607-A2 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-11-04 WO disclosed
US-20100105671-A1 C7-fluoro substituted tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. 2010-04-29 US disclosed
US-20100105671-A1 C7-fluoro substituted tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. 2010-04-29 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 (8 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-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO TET1, TET3, TYMS ALOX5 606/4885NSD2 4709/4885WDR5 2722/4885
US-20200055813-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A ALOX5 3940/4885NSD2 4380/4885WDR5 1528/4885
US-20100105671-A1 C7-fluoro substituted tetracycline compounds F7, TUBA1C, TUBA4A ALOX5 3940/4885NSD2 4380/4885WDR5 1528/4885
US-20110269714-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB ALOX5 4429/4885NSD2 3471/4885WDR5 1167/4885
US-20190002398-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A ALOX5 3940/4885NSD2 4380/4885WDR5 1528/4885
US-20230122651-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A ALOX5 3940/4885NSD2 4380/4885WDR5 1528/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A ALOX5 4070/4885NSD2 3715/4885WDR5 1685/4885
US-20210122709-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A ALOX5 3940/4885NSD2 4380/4885WDR5 1528/4885

“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.