SCHEMBL17753686

SCHEMBL17753686

CC(C)C(NC(=O)c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.52
▸ CECR2 Q9BXF3 5/20 0.52
▸ TAF1 P21675 5/20 0.52
▸ BRD9 Q9H8M2 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.48
▸ HDAC1 Q13547 1/20 0.43
▸ TACR3 P29371 1/20 0.43
▸ ATAD2 Q6PL18 2/20 0.42
▸ KAT2B Q92831 1/20 0.41

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
SCHEMBL17753700 0.90 CECR2 (0.51) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL19639705 0.89 CECR2 (0.54) BRD4CECR2TAF1BRD9ALDH1A1
SCHEMBL17754104 0.89 CECR2 (0.54) BRD4CECR2TAF1BRD9ALDH1A1
SCHEMBL17748995 0.89 CECR2 (0.54) BRD4CECR2TAF1BRD9ALDH1A1
SCHEMBL17753771 0.87 CECR2 (0.55) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753693 0.85 CECR2 (0.53) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753698 0.83 CECR2 (0.51) BRD4CECR2TAF1BRD9TACR3
SCHEMBL17754062 0.83 CECR2 (0.51) BRD4CECR2TAF1BRD9TACR3
SCHEMBL19658672 0.81 CECR2 (0.48) BRD4CECR2TAF1BRD9TACR3
SCHEMBL17753699 0.80 CECR2 (0.54) BRD4CECR2TAF1BRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 BRD4 1/4885CECR2 184/4885TAF1 439/4885

“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.

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