SCHEMBL21362040

SCHEMBL21362040

CCCCC(=O)N[C@@H](C)c1cc(=O)n(C)cc1-c1cc(CS(=O)(=O)CC)c(OC)cc1C(=O)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE10A Q9Y233 3/20 0.33
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33
TUBA1C Q9BQE3 2/20 0.33
TUBB6 Q9BUF5 2/20 0.33
TUBB2B Q9BVA1 2/20 0.33
TUBB1 Q9H4B7 2/20 0.33
CREBBP Q92793 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL21352072 0.84 BRD4 (0.34) BRD4PDE10ATUBB4ATUBBTUBA3C
SCHEMBL21362104 0.77 CNR2 (0.32) BRD4CNR2
SCHEMBL21352073 0.76 GAA (0.35) BRD4ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL21362121 0.76 BRD4 (0.34) BRD4PDE10ATUBB4ATUBBTUBA3C
SCHEMBL21362105 0.76 BRD4 (0.32) BRD4
SCHEMBL21352071 0.76 BRD4 (0.34) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21351997 0.75 BRD4 (0.32) BRD4
SCHEMBL20157713 0.74 BRD4 (0.33) BRD4
SCHEMBL21352243 0.74 BRD4 (0.32) BRD4
SCHEMBL21362394 0.74 BRD4 (0.39) BRD4ALDH1A1

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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 BRD4 7/4885ALDH1A1 4457/4885PDE10A 4447/4885

“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.