SCHEMBL3800865

SCHEMBL3800865

O=C(Nc1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)C(Cl)Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TYK2 P29597 8/20 0.39
JAK3 P52333 1/20 0.39
JAK2 O60674 6/20 0.39
PDK1 Q15118 1/20 0.38
CNR1 P21554 1/20 0.37
NPC1 O15118 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
JAK1 P23458 1/20 0.37
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
Hydrochloric Acid SCHEMBL3792949 0.99 MAPT (0.53) MAPTKDM4EALDH1A1POLBMAPK1
SCHEMBL3803951 0.94 MAPT (0.47) MAPTKDM4EALDH1A1POLBMAPK1
SCHEMBL3793464 0.93 MAPT (0.47) MAPTKDM4EALDH1A1POLBMAPK1
SCHEMBL14086931 0.91 MAPT (0.54) MAPTKDM4EALDH1A1POLBMAPK1
SCHEMBL3801074 0.88 MAPT (0.46) MAPTKDM4EALDH1A1POLBMAPK1
SCHEMBL3803929 0.88 MAPT (0.43) MAPTKDM4EALDH1A1POLBMAPK1
SCHEMBL3802381 0.88 MAPT (0.45) MAPTKDM4EALDH1A1POLBMAPK1
SCHEMBL3801076 0.87 MAPT (0.45) MAPTKDM4EALDH1A1POLBMAPK1
SCHEMBL5335832 0.86 MAPT (0.46) MAPTKDM4EALDH1A1POLBMAPK1
SCHEMBL5150469 0.84 MAPT (0.75) MAPTKDM4EALDH1A1POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714137-B2 2,2-Dichloro-N-[2-[3-(2-chloro-6-fluorophenyl)-5-isoxazolyl]-(4-pyridyl)]Acetamide; Hepatitis C virus RIGEL PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
US-7498353-B2 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-7498353-B2 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-7410979-B2 Synergistically effective combinations of dihaloacetamide compounds and interferon or ribavirin against HCV infections RIGEL PHARMACEUTICALS, INC. (US) 2008-08-12 US disclosed
US-7410979-B2 Synergistically effective combinations of dihaloacetamide compounds and interferon or ribavirin against HCV infections RIGEL PHARMACEUTICALS, INC. (US) 2008-08-12 US disclosed
US-20080171871-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection RIGEL PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-20080171871-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection RIGEL PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
EP-1699446-B1 COMPOSITIONS AND METHODS FOR TREATING HEPATITIS C VIRUS (HCV) INFECTION RIGEL PHARMACEUTICALS INC (US) 2008-05-28 EP disclosed
US-7332602-B2 Pyridyl substituted heterocycles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2008-02-19 US disclosed
US-7332602-B2 Pyridyl substituted heterocycles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2008-02-19 US disclosed
US-20070155966-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection RIGEL PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
US-20070155966-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection RIGEL PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
WO-2007027230-A2 HETEROCYCLIC ANTI-VIRAL COMPOUNDS COMPRISING METABOLIZABLE MOIETIES AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-03-08 WO disclosed
US-7157473-B2 Pyridyl substituted heterocycles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2007-01-02 US disclosed
WO-2005049065-A2 SYNERGISTIC COMBINATIONS OF DIHALOACETAMIDE WITH INTERFERON OR RIBAVIRIN FOR TREATMENT HCV INFECTIONS RIGEL PHARMACEUTICALS, INC. (US) 2005-06-02 WO disclosed
US-20040127497-A1 Pyridyl substituted heterocycles useful for treating or preventing HCV infection MIDCAP FINANCIAL TRUST 2004-07-01 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 (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-20040127497-A1 Pyridyl substituted heterocycles useful for treating or preventing HCV infection HAVCR2, HCCS, NQO1 MAPT 4676/4885KDM4E 2996/4885ALDH1A1 367/4885
US-20070155966-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection HAVCR2, HCCS, NQO1 MAPT 4671/4885KDM4E 3087/4885ALDH1A1 395/4885
US-20080171871-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection HAVCR2, HCCS, NQO1 MAPT 4676/4885KDM4E 2996/4885ALDH1A1 367/4885

“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.