Sugi Predict

Sugi Predict / Compounds / SCHEMBL4873946

SCHEMBL4873946

SCHEMBL4873946

O=[N+]([O-])c1ccc(-c2cc(-c3c(Cl)cccc3Cl)ns2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MCL1 Q07820 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PSD A5PKW4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL4868674 0.90 APP (0.44) APPTDP1MAPTMCL1NPC1
SCHEMBL28513687 0.81 APP (0.49) APPMAPTMCL1NPC1RAB9A
SCHEMBL4873060 0.74 CXCR1 (0.51) APPTDP1MAPTMCL1NPC1
SCHEMBL4873172 0.72 XDH (0.63) APPTDP1MAPTNPC1RAB9A
SCHEMBL4869789 0.71 XDH (0.65) APPTDP1MAPTNPC1RAB9A
SCHEMBL5418627 0.67 ALDH1A1 (0.58) TDP1MAPTNPC1RAB9AHSD17B10
SCHEMBL4872698 0.66 JAK2 (0.62) TDP1MAPTMCL1NPC1RAB9A
SCHEMBL4873827 0.66 MAPT (0.61) MAPTNPC1RAB9AMEN1POLB
SCHEMBL4872991 0.66 MAPT (0.61) TDP1MAPTNPC1RAB9AMEN1
SCHEMBL4872408 0.66 SCN2A (0.58) TDP1MAPTNPC1RAB9AMEN1

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 APP 4434/4885TDP1 3554/4885MAPT 4317/4885
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS APP 3571/4885TDP1 4097/4885MAPT 4266/4885

“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.