SCHEMBL19869952

SCHEMBL19869952

COc1cc(Br)ccc1S(=O)(=O)N1CC(O)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 3/20 0.53
TRPV4 Q9HBA0 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.47
TSHR P16473 4/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
ALOX15 P16050 1/20 0.42
NPBWR1 P48145 1/20 0.42
GHSR Q92847 1/20 0.42
BRD4 O60885 1/20 0.41
BRD1 O95696 1/20 0.41
BRPF1 P55201 1/20 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
SCHEMBL19869946 0.82 TSHR (0.66) ALDH1A1LMNAGAAMCOLN3TSHR
SCHEMBL19869964 0.81 EPHX2 (0.47) ALDH1A1LMNAHTTRECQLSMN1; SMN2
SCHEMBL17843485 0.79 GAA (0.66) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL19869965 0.79 GAA (0.62) ALDH1A1SMN1; SMN2GAAMCOLN3TSHR
SCHEMBL6110740 0.77 GAA (0.50) ALDH1A1LMNAHTTRECQLSMN1; SMN2
SCHEMBL17315165 0.74 SMN1; SMN2 (0.47) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL19869739 0.74 BRD4 (0.59) MCOLN3BRD4
SCHEMBL19869960 0.74 TGM2 (0.65) ALDH1A1LMNASMN1; SMN2GAAMCOLN3
SCHEMBL16014701 0.72 L3MBTL1 (0.53) ALDH1A1HTTSMN1; SMN2MCOLN3TP53
SCHEMBL16014703 0.72 L3MBTL1 (0.53) ALDH1A1HTTSMN1; SMN2MCOLN3TP53

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 ALDH1A1 2654/4885LMNA 1902/4885HTT 3699/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 ALDH1A1 2461/4885LMNA 1745/4885HTT 3593/4885

“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.