SCHEMBL6883228

SCHEMBL6883228

COc1ccc(-c2nc(-c3cc(C(=O)O)c(C)n3Cc3cccc(OC)c3)cs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 9/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
KLKB1 P03952 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.44
PTK2B Q14289 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL6879060 0.93 KDM4E (0.53) EIF4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6882588 0.92 PPARG (0.47) EIF4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6471925 0.92 KDM4E (0.53) EIF4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5045711 0.91 KDM4E (0.55) EIF4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6471628 0.89 KDM4E (0.50) EIF4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6882640 0.89 KDM4E (0.52) EIF4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6883083 0.88 ALDH1A1 (0.49) EIF4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6472401 0.88 KDM4E (0.49) EIF4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6471994 0.88 KDM4E (0.51) EIF4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6884109 0.87 EIF4E (0.57) EIF4EALDH1A1NPC1RAB9ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 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 (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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R EIF4E 2174/4885ALDH1A1 959/4885NPC1 500/4885

“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.