SCHEMBL16905987

SCHEMBL16905987

COc1ccc(CN2C(=O)COc3cc(Br)c(OC)cc32)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KCNH2 Q12809 2/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CBX7 O95931 1/20 0.37
▸ CDYL2 Q8N8U2 1/20 0.37
▸ CDYL Q9Y232 1/20 0.37
▸ CDY1; CDY1B Q9Y6F8 1/20 0.37

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
SCHEMBL20373353 0.90 HDAC1 (0.40) L3MBTL1HDAC1HDAC8HDAC6HDAC5
SCHEMBL16905954 0.89 HDAC1 (0.40) L3MBTL1KCNH2HDAC1HDAC8HDAC6
SCHEMBL18326360 0.89 HDAC6 (0.42) L3MBTL1HDAC1HDAC8HDAC6HDAC5
SCHEMBL18326359 0.89 CPT1A (0.41) L3MBTL1HDAC1HDAC8HDAC6HDAC5
SCHEMBL18326361 0.86 SCN9A (0.39) L3MBTL1KCNH2HDAC1HDAC8HDAC6
SCHEMBL16905984 0.84 BRD4 (0.54) L3MBTL1ALDH1A1BRD4MAPTMEN1
SCHEMBL18317132 0.83 BRD4 (0.41) L3MBTL1KCNH2BRD4
SCHEMBL16905973 0.79 L3MBTL1 (0.46) L3MBTL1MAPTPOLBTSHRSCN9A
SCHEMBL18326362 0.79 L3MBTL1 (0.46) L3MBTL1BRD4MAPTPOLBTSHR
SCHEMBL16906045 0.78 L3MBTL1 (0.49) L3MBTL1ALDH1A1BRD4MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP 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
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 L3MBTL1 2541/4885KCNH2 2179/4885HDAC1 14/4885

“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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