SCHEMBL26601146

SCHEMBL26601146

O=C(O)NC1CC(n2cc(Br)cn2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.37
▸ ELANE P08246 3/20 0.37
▸ PLAU P00749 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ ACHE P22303 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ WDR5 P61964 1/20 0.31
▸ OPRK1 P41145 1/20 0.31

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
SCHEMBL26601141 1.00 SMYD3 (0.37) SMYD3ELANEPLAUF2KLKB1
SCHEMBL30670681 0.81 KMT2A (0.45) KMT2AL3MBTL1
SCHEMBL26817401 0.81 KMT2A (0.45) KMT2AL3MBTL1
SCHEMBL17500118 0.79 SMYD3 (0.36) SMYD3ACHEOPRK1
SCHEMBL17500142 0.79 SMYD3 (0.36) SMYD3ACHEMEN1KMT2AOPRK1
SCHEMBL17500115 0.79 SMYD3 (0.36) SMYD3ACHEOPRK1
SCHEMBL17500144 0.79 SMYD3 (0.36) SMYD3ACHEMEN1KMT2AOPRK1
SCHEMBL16876331 0.78 KDM5A (0.38) ELANEPLAUF2KLKB1KDM5A
SCHEMBL17874277 0.77 PSMB8 (0.35) SMYD3ACHEMEN1KMT2AL3MBTL1
SCHEMBL31547073 0.75 KDM5A (0.36) ELANEPLAUF2KLKB1KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 — — US disclosed
WO-2023205507-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-10-26 — — 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-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, SHBG, NR5A1 SMYD3 4325/4885ELANE 4274/4885PLAU 3257/4885

“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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