SCHEMBL6879680

SCHEMBL6879680

COc1ccc(-c2nc(-c3cc(C(=O)O)c(C)n3CCc3ccccc3)cs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
EIF4E P06730 6/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
ATM Q13315 2/20 0.44
CYP19A1 P11511 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6882157 0.94 KDM4E (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6881143 0.94 KDM4E (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6879060 0.90 KDM4E (0.53) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6882625 0.89 KDM4E (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5044535 0.89 ALDH1A1 (0.53) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5039541 0.88 KDM4E (0.52) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5044308 0.87 ALDH1A1 (0.54) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5043859 0.86 HPGD (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5045711 0.86 KDM4E (0.55) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5047165 0.86 SREBF2 (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; 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 KDM4E 2916/4885ALDH1A1 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.