SCHEMBL6881069

SCHEMBL6881069

COc1cc(OC)cc(-c2nc(-c3cc(C(=O)O)c(C)n3CC3CCCCC3)cs2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
NOTUM Q6P988 1/20 0.42
CDC25A P30304 2/20 0.40
CDC25B P30305 2/20 0.40
CDC25C P30307 2/20 0.40
DUSP3 P51452 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G2A P14555 1/20 0.38
EIF4E P06730 5/20 0.38
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 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
SCHEMBL5039301 0.92 CDC25A (0.49) NOTUMCDC25ACDC25BCDC25CDUSP3
SCHEMBL6881410 0.91 EIF4E (0.49) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL6879620 0.88 NOTUM (0.44) NOTUMCDC25ACDC25BCDC25CDUSP3
SCHEMBL6877134 0.87 ALDH1A1 (0.48) NOTUMCDC25ACDC25BCDC25CDUSP3
SCHEMBL5040235 0.86 HTR2A (0.42) CYP1A1CYP1B1CDC25ACDC25BCDC25C
SCHEMBL6882755 0.85 CPT2 (0.47) NOTUMCDC25ACDC25BCDC25CDUSP3
SCHEMBL6871896 0.85 NOTUM (0.43) NOTUMCDC25ACDC25BCDC25CDUSP3
SCHEMBL6879641 0.84 IDH1 (0.46) NOTUMALDH1A1KDM4ENPC1RAB9A
SCHEMBL6872874 0.84 NOTUM (0.42) NOTUMEIF4ELMNAMAPT
SCHEMBL6878789 0.84 NOTUM (0.42) NOTUMCDC25ACDC25BCDC25CDUSP3

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 CYP1A1 563/4885CYP1B1 459/4885NOTUM 1360/4885

“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.