SCHEMBL4873827

SCHEMBL4873827

O=[N+]([O-])c1ccc(-c2ncc(-c3c(Cl)cccc3Cl)o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
POLB P06746 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
NOTUM Q6P988 1/20 0.43
GSK3B P49841 4/20 0.41
DGAT1 O75907 1/20 0.41
SMO Q99835 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CA1 P00915 1/20 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
SCHEMBL4872991 0.89 MAPT (0.61) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL12489677 0.82 MAPT (0.85) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7902911 0.80 RAB9A (0.76) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL10911272 0.76 KMT2A (0.74) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL12490782 0.76 MAPT (1.00) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL21980353 0.74 NPC1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9976069 0.73 NPC1 (0.69) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9146188 0.73 NPC1 (0.69) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4873060 0.73 CXCR1 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1127034 0.72 MAPT (0.60) MAPTMEN1KMT2ANPC1RAB9A

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-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 4317/4885MEN1 4601/4885KMT2A 3401/4885
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS MAPT 4266/4885MEN1 4165/4885KMT2A 2974/4885

“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.