SCHEMBL879728

SCHEMBL879728

COc1cc(NC(C)=O)ccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.59
ALDH1A1 P00352 5/20 0.56
LMNA P02545 3/20 0.55
MAPT P10636 5/20 0.52
KDM4E B2RXH2 2/20 0.52
STAT1 P42224 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
MAPK1 P28482 2/20 0.51
HTT P42858 2/20 0.51
ALOX15 P16050 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
UBE2N P61088 1/20 0.48
MITF O75030 1/20 0.48
PAX8 Q06710 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL30159535 1.00 GRM4 (0.59) GRM4ALDH1A1LMNAMAPTKDM4E
Acetic Acid SCHEMBL28264875 0.97 GRM4 (0.57) GRM4ALDH1A1LMNAMAPTKDM4E
SCHEMBL3997305 0.86 LMNA (0.66) ALDH1A1LMNAMAPTKDM4ESAE1
SCHEMBL30355120 0.86 LMNA (0.66) ALDH1A1LMNAMAPTKDM4ESAE1
SCHEMBL15972268 0.86 GRM4 (0.59) GRM4ALDH1A1LMNAMAPTSTAT1
SCHEMBL19661750 0.85 GRM4 (0.58) GRM4ALDH1A1LMNAMAPTSTAT1
SCHEMBL16896837 0.84 GRM4 (0.54) GRM4ALDH1A1LMNAMAPTKDM4E
SCHEMBL22658883 0.84 GRM4 (0.54) GRM4ALDH1A1LMNAMAPTSTAT1
SCHEMBL29407648 0.84 GRM4 (0.54) GRM4ALDH1A1LMNAMAPTSTAT1
SCHEMBL30492996 0.84 SMN1; SMN2 (0.68) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111205281-B Heterocyclic compounds and their use 阮富强 2022-12-27 CN disclosed
CN-111205281-A Heterocyclic compounds and their use 阮富强 2020-05-29 CN disclosed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 US disclosed
US-10442799-B1 Heterocyclic compounds and uses thereof RUAN FUQIANG (US) 2019-10-15 US disclosed
US-20190308963-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF RUAN FUQIANG (US) 2019-10-10 US disclosed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 US disclosed
US-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-11-01 US disclosed
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 EP disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 EP disclosed
WO-2008101938-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-28 WO disclosed
WO-2008101938-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-28 WO disclosed
WO-2008055870-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 WO disclosed
WO-2008055870-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 WO disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO disclosed
CN-1058262-C Novel 1-phenylalkanone 5-HT4Receptor ligands SYNTEX INC (US) 2000-11-08 CN disclosed
CN-1124485-A Novel 1-phenylalkanone 5-HT4Receptor ligands SYNTEX A INC (US) 1996-06-12 CN 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 (8 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-20190308963-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRD4, BICRA, BET1 GRM4 2953/4885ALDH1A1 4202/4885LMNA 2247/4885
US-10442799-B1 Heterocyclic compounds and uses thereof BRD4, BICRA, BET1 GRM4 2953/4885ALDH1A1 4202/4885LMNA 2247/4885
US-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRD2 GRM4 4721/4885ALDH1A1 1254/4885LMNA 1428/4885
US-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 GRM4 4052/4885ALDH1A1 2391/4885LMNA 2735/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 GRM4 4748/4885ALDH1A1 2949/4885LMNA 823/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 GRM4 4748/4885ALDH1A1 2949/4885LMNA 823/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 GRM4 4748/4885ALDH1A1 2949/4885LMNA 823/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 GRM4 4043/4885ALDH1A1 3257/4885LMNA 2659/4885

“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.