SCHEMBL3798740

SCHEMBL3798740

O=C(Nc1cncc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)C(Cl)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
JAK3 P52333 1/20 0.41
TP53 P04637 3/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
DOT1L Q8TEK3 1/20 0.38
CNR1 P21554 1/20 0.37
KDR P35968 1/20 0.37
DYRK1A Q13627 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3803424 0.94 MAPT (0.52) MAPTPOLBKDM4EALDH1A1MAPK1
SCHEMBL3797616 0.93 MAPT (0.51) MAPTPOLBKDM4EALDH1A1MAPK1
SCHEMBL3801913 0.89 MAPT (0.45) MAPTPOLBKDM4EALDH1A1MAPK1
SCHEMBL3799752 0.88 MAPT (0.47) MAPTPOLBKDM4EALDH1A1MAPK1
SCHEMBL3802368 0.88 MAPT (0.44) MAPTPOLBKDM4EALDH1A1MAPK1
SCHEMBL5150469 0.88 MAPT (0.75) MAPTPOLBKDM4EALDH1A1MAPK1
SCHEMBL3797304 0.87 MAPT (0.50) MAPTPOLBKDM4EALDH1A1MAPK1
SCHEMBL14276298 0.87 MAPT (0.64) MAPTPOLBKDM4EALDH1A1MAPK1
SCHEMBL4869419 0.86 MAPT (0.60) MAPTPOLBKDM4EALDH1A1MAPK1
SCHEMBL3802544 0.86 MAPT (0.44) MAPTPOLBKDM4EALDH1A1MAPK1

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 8 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-20080171871-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection RIGEL PHARMACEUTICALS, INC. (US) 2008-07-17 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-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
US-7157473-B2 Pyridyl substituted heterocycles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2007-01-02 US 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 4676/4885POLB 499/4885KDM4E 2996/4885
US-20070155966-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection HAVCR2, HCCS, NQO1 MAPT 4671/4885POLB 397/4885KDM4E 3087/4885
US-20080171871-A1 Pyridyl Substituted Heterocycles Useful For Treating Or Preventing HCV Infection HAVCR2, HCCS, NQO1 MAPT 4676/4885POLB 499/4885KDM4E 2996/4885

“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.