SCHEMBL19869977

SCHEMBL19869977

COC(=O)c1ccc(Br)cc1CS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 4/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
SLC6A3 Q01959 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ABL1 P00519 1/20 0.40
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
PDK2 Q15119 1/20 0.39

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
SCHEMBL19869698 0.87 ALDH1A1 (0.46) NR4A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL3712715 0.82 NR4A2 (0.50) NR4A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL4449538 0.81 DGAT1 (0.49) ALDH1A1KDM4EMAPTGLACASP1
SCHEMBL8747769 0.81 KMT2A (0.43) NR4A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL275285 0.81 NR4A2 (0.49) NR4A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL16304136 0.81 NR4A2 (0.49) NR4A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL30752924 0.81 NR4A2 (0.49) NR4A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL257356 0.80 NR4A2 (0.48) NR4A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL27769962 0.80 NR4A2 (0.48) NR4A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL5833791 0.78 CFTR (0.61) ALDH1A1KDM4EMAPTHPGDHSD17B10

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-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 EP disclosed
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 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-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BRD9, BRD1, BRD2 NR4A2 1107/4885ALDH1A1 2654/4885KDM4E 1154/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 NR4A2 1035/4885ALDH1A1 2461/4885KDM4E 1262/4885

“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.