SCHEMBL19869928

SCHEMBL19869928

CCc1cc(Br)cc(OC)c1C(O)CC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
ERN1 O75460 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL29613220 1.00 GAA (0.40) GAAERN1TAAR1ALOX15ALOX12
SCHEMBL3548670 0.75 TOP1 (0.43) ERN1ALOX15ALOX12ALDH1A1CYP1A2
SCHEMBL14417263 0.74 GAA (0.60) GAAERN1ALOX15ALOX12ALDH1A1
SCHEMBL14154475 0.72 PTGS2 (0.50) GAAERN1TAAR1ALOX15ALOX12
SCHEMBL19701762 0.70 MAPT (0.46) GAAERN1TAAR1
SCHEMBL19701764 0.70 GAA (0.42) GAAERN1TAAR1ALOX15ALOX12
SCHEMBL11853081 0.70 ALDH1A1 (0.46) ERN1ALDH1A1TSHR
SCHEMBL2388775 0.68 CYP3A4 (0.43) CYP3A4TSHR
SCHEMBL1661740 0.68 PTGS2 (0.37) CYP3A4TSHR
SCHEMBL25197458 0.67 ERN1 (0.41) GAAERN1TAAR1ALOX15ALOX12

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 GAA 4237/4885ERN1 2871/4885TAAR1 1493/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 GAA 4152/4885ERN1 2903/4885TAAR1 1326/4885

“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.