SCHEMBL18326361

SCHEMBL18326361

COc1cc2c(cc1Br)OCC(=O)N2Cc1ccc(C#N)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ PIK3CG P48736 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ PRMT5 O14744 2/20 0.36
▸ WDR77 Q9BQA1 2/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ NMT1 P30419 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35

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
SCHEMBL16905987 0.86 L3MBTL1 (0.46) SCN9AHDAC1HDAC8HDAC6HDAC5
SCHEMBL20373353 0.86 HDAC1 (0.40) SCN9AHDAC1HDAC8HDAC6HDAC5
SCHEMBL20373749 0.86 SCN9A (0.36) SCN9AHDAC1HDAC8HDAC6HDAC5
SCHEMBL18326359 0.85 CPT1A (0.41) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL16905954 0.85 HDAC1 (0.40) SCN9AHDAC1HDAC8HDAC6HDAC5
SCHEMBL18326360 0.85 HDAC6 (0.42) SCN9AHDAC1HDAC8HDAC6HDAC5
SCHEMBL16896879 0.84 BRD4 (0.39) BRD4NMT1
SCHEMBL16905984 0.81 BRD4 (0.54) SCN9AL3MBTL1BRD4
SCHEMBL18326362 0.76 L3MBTL1 (0.46) PIK3CGL3MBTL1BRD4
SCHEMBL16905973 0.76 L3MBTL1 (0.46) SCN9AL3MBTL1

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-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — 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 (2 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 SCN9A 1742/4885HDAC1 14/4885HDAC8 479/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 SCN9A 1742/4885HDAC1 14/4885HDAC8 479/4885

“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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