SCHEMBL16905970

SCHEMBL16905970

COc1cc2c(cc1Br)OCC(=O)N2Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PTGER2 P43116 1/20 0.44
▸ PDE4B Q07343 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ MAPT P10636 2/20 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
SCHEMBL16906045 0.87 L3MBTL1 (0.49) L3MBTL1ALDH1A1POLBPDE4BHTR2A
SCHEMBL18326362 0.85 L3MBTL1 (0.46) L3MBTL1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL16896794 0.83 BRD4 (0.43) TP53L3MBTL1MAPK1ALDH1A1CYP1A2
SCHEMBL16905973 0.83 L3MBTL1 (0.46) L3MBTL1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL18326373 0.82 HTR2A (0.44) L3MBTL1MAPK1ALDH1A1PDE4BHTR2A
SCHEMBL16905841 0.81 L3MBTL1 (0.53) L3MBTL1MEN1HTTKMT2A
SCHEMBL20373558 0.81 L3MBTL1 (0.52) L3MBTL1POLBCYP3A4CYP2D6CYP2C9
SCHEMBL16905984 0.80 BRD4 (0.54) L3MBTL1ALDH1A1HTR2AHTR2CTSHR
SCHEMBL16905960 0.78 CYP11B1 (0.41) TP53ALDH1A1CYP3A4HTR2AHTR2C
SCHEMBL20373353 0.77 HDAC1 (0.40) L3MBTL1ALDH1A1CYP1A2POLBCYP3A4

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 5 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
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 (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 TP53 1351/4885L3MBTL1 2541/4885MAPK1 84/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 TP53 1351/4885L3MBTL1 2541/4885MAPK1 84/4885

“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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