SCHEMBL4872698

SCHEMBL4872698

O=[N+]([O-])c1ccc(-c2cnc(-c3c(Cl)cccc3Cl)[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.62
MAPT P10636 9/20 0.56
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
HPGD P15428 3/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
SCN2A Q99250 3/20 0.55
PTGES O14684 4/20 0.54
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HCRTR1 O43613 1/20 0.48

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
SCHEMBL4872408 0.89 SCN2A (0.58) JAK2MAPTALDH1A1MEN1KMT2A
SCHEMBL6027062 0.82 SCN2A (0.65) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL9976067 0.82 SCN2A (0.63) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL6027173 0.80 SCN2A (0.66) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL6026651 0.77 SCN2A (0.73) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL26986686 0.76 SCN2A (0.53) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL6026722 0.76 SCN2A (0.58) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL1624154 0.75 SCN2A (0.49) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL6026384 0.75 TSHR (0.58) JAK2MAPTALDH1A1MEN1KMT2A
SCHEMBL8370164 0.73 MAPT (0.55) MAPTALDH1A1MEN1KMT2AHPGD

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 6 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
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
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 JAK2 206/4885MAPT 4317/4885ALDH1A1 1236/4885
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS JAK2 120/4885MAPT 4266/4885ALDH1A1 491/4885

“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.