SCHEMBL4869419

SCHEMBL4869419

O=C(Nc1ccc(-c2cc(-c3c(Cl)cccc3Cl)no2)cc1)C(Cl)Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
MAPK1 P28482 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ACR P10323 1/20 0.43
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
PDK1 Q15118 1/20 0.40
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4873337 0.91 MAPT (0.51) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL5150469 0.89 MAPT (0.75) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL4869583 0.87 MAPT (0.45) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL4872988 0.87 CYP1A2 (0.54) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL3798740 0.86 MAPT (0.58) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL3802396 0.84 MAPT (0.53) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL5148427 0.83 MAPT (0.54) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL5155141 0.83 MAPT (0.57) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL5150504 0.83 MAPT (0.52) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL5150494 0.83 MAPT (0.66) MAPTALDH1A1KDM4EPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326790-B2 Diphenylisoxazole compounds and hydro isomers thereof RIGEL PHARMACEUTICALS, INC. (US) 2008-02-05 US claimed
US-7326790-B2 Diphenylisoxazole compounds and hydro isomers thereof RIGEL PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-7220745-B2 Heterocyclic compounds useful to treat HCV RIGEL PHARMACEUTICALS (US) 2007-05-22 US disclosed
EP-1641452-A1 HETEROCYCLIC COMPOUNDS USEFUL TO TREAT HCV Rigel Pharmaceuticals (US) 2006-04-05 EP disclosed
EP-1620412-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF Rigel Pharmaceuticals, Inc. (US) 2006-02-01 EP disclosed
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof MIDCAP FINANCIAL TRUST 2004-12-16 US disclosed
WO-2004103366-A1 HETEROCYCLIC COMPOUNDS USEFUL TO TREAT HCV RIGEL PHARMACEUTICALS (US) 2004-12-02 WO disclosed
WO-2004099165-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
US-20040142985-A1 Heterocyclic compounds useful to treat HCV RIGEL PHARMACEUTICALS 2004-07-22 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 (2 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-20040142985-A1 Heterocyclic compounds useful to treat HCV HAVCR2, PCNA, HCCS MAPT 4317/4885ALDH1A1 1236/4885KDM4E 2617/4885
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS MAPT 4266/4885ALDH1A1 491/4885KDM4E 3218/4885

“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.