SCHEMBL4869555

SCHEMBL4869555

O=C(Nc1ccc(-c2ncc(-c3c(Cl)cccc3Cl)s2)cc1)C(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK3 P52333 1/20 0.42
CNR1 P21554 2/20 0.41
DGAT1 O75907 2/20 0.41
PDK1 Q15118 2/20 0.40
MGLL Q99685 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.39
TP53 P04637 1/20 0.38
CDK8 P49336 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
TEK Q02763 1/20 0.36

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
SCHEMBL4872133 0.91 CNR1 (0.44) NAMPTSMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL4871908 0.82 JAK3 (0.52) SMN1; SMN2MAPTMEN1ALDH1A1HPGD
SCHEMBL4872920 0.77 MAPT (0.42) SMN1; SMN2MAPTMEN1ALDH1A1HPGD
SCHEMBL4871581 0.76 MAPT (0.43) SMN1; SMN2MAPTMEN1ALDH1A1HPGD
SCHEMBL4865624 0.75 PTGES (0.49) SMN1; SMN2MAPTMEN1ALDH1A1HPGD
SCHEMBL4868670 0.75 JAK2 (0.55) SMN1; SMN2MAPTMEN1ALDH1A1HPGD
SCHEMBL4865163 0.75 SMO (0.56) SMN1; SMN2MAPTMEN1ALDH1A1HPGD
SCHEMBL4868586 0.75 SMO (0.56) SMN1; SMN2MAPTMEN1ALDH1A1HPGD
SCHEMBL20379889 0.72 NAMPT (0.61) NAMPTSMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL4873337 0.72 MAPT (0.51) SMN1; SMN2MAPTMEN1ALDH1A1HPGD

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS NAMPT 718/4885SMN1; SMN2 4007/4885MAPT 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.