SCHEMBL4868586

SCHEMBL4868586

O=C(Nc1ccc(-c2ncc(-c3c(Cl)cccc3Cl)o2)cc1)C(Cl)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.56
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 3/20 0.46
GAA P10253 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.42
MAP4K4 O95819 1/20 0.41
POLB P06746 1/20 0.41
JAK3 P52333 1/20 0.39
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 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
SCHEMBL4865163 0.91 SMO (0.56) SMOALDH1A1HPGDNPC1RAB9A
SCHEMBL4873337 0.76 MAPT (0.51) SMOALDH1A1HPGDNPC1RAB9A
SCHEMBL4872133 0.76 CNR1 (0.44) ALDH1A1HPGDSMN1; SMN2MAPTGAA
SCHEMBL4869555 0.75 NAMPT (0.43) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4868670 0.74 JAK2 (0.55) ALDH1A1HPGDSMN1; SMN2MAPTTP53
SCHEMBL4869419 0.74 MAPT (0.60) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4865624 0.74 PTGES (0.49) ALDH1A1HPGDSMN1; SMN2MAPTTP53
SCHEMBL4260914 0.71 SMO (1.00) SMOALDH1A1HPGDNPC1RAB9A
SCHEMBL4873827 0.71 MAPT (0.61) SMOALDH1A1HPGDNPC1RAB9A
SCHEMBL4871581 0.70 MAPT (0.43) SMOALDH1A1HPGDSMN1; SMN2KDM4E

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 SMO 2235/4885ALDH1A1 1236/4885HPGD 712/4885
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS SMO 1283/4885ALDH1A1 491/4885HPGD 133/4885

“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.