SCHEMBL1343473

SCHEMBL1343473

CCOC(=O)Cc1ccc([N+](=O)[O-])c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10473975 0.82 MAPT (0.50) MAPK1LMNAMAPTKDM4EALDH1A1
SCHEMBL17675673 0.82 MAPT (0.53) MAPK1LMNAMAPTKDM4EALDH1A1
SCHEMBL12776956 0.79 ALDH1A1 (0.42) MAPK1LMNAMAPTKDM4EALDH1A1
SCHEMBL1477877 0.79 PKM (0.44) MAPTTDP1PKMKMT2AHTT
SCHEMBL3390082 0.79 CYP1A2 (0.57) MAPTALDH1A1TDP1
SCHEMBL38652331 0.79 PKM (0.44) MAPTTDP1PKMKMT2AHTT
SCHEMBL13400411 0.78 TSHR (0.49) MAPK1LMNAMAPTKDM4EALDH1A1
SCHEMBL406358 0.78 MAPT (0.51) MAPK1LMNAMAPTKDM4EALDH1A1
SCHEMBL27542150 0.78 MAPT (0.43) MAPK1LMNAMAPTKDM4EALDH1A1
SCHEMBL3796044 0.78 MAPK1 (0.61) MAPK1MAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO disclosed
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO disclosed
EP-2225239-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-22 EP disclosed
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-8293778-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-10-23 US disclosed
US-8293778-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-10-23 US disclosed
US-8293778-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-10-23 US disclosed
EP-1773790-B1 BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2012-08-15 EP disclosed
US-8063064-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2011-11-22 US disclosed
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2005-10-27 US disclosed
US-20050239880-A1 Methods for treating retroviral infections ROCHE PALO ALTO LLC 2005-10-27 US disclosed
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 EP disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-10-07 US disclosed
WO-2004085406-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 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 (5 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 MAPK1 1100/4885LMNA 2308/4885MAPT 3229/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 MAPK1 2295/4885LMNA 2586/4885MAPT 2976/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MAPK1 1178/4885LMNA 2327/4885MAPT 3414/4885
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLR2A, POLR2E MAPK1 982/4885LMNA 1382/4885MAPT 1798/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 MAPK1 2180/4885LMNA 1159/4885MAPT 2360/4885

“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.