SCHEMBL19869948

SCHEMBL19869948

COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.76
MAPT P10636 1/20 0.72
GAA P10253 4/20 0.62
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.62
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
NPBWR1 P48145 1/20 0.55
USP2 O75604 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALK Q9UM73 1/20 0.50

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
SCHEMBL19869965 0.81 GAA (0.62) TSHRMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL15052377 0.81 GAA (0.79) TSHRMAPTGAAPOLBALDH1A1
SCHEMBL10570472 0.81 TSHR (0.89) TSHRGAALMNAPOLBALDH1A1
SCHEMBL19869971 0.79 GAA (0.65) TSHRMAPTGAALMNAPOLB
SCHEMBL19869946 0.78 TSHR (0.66) TSHRMAPTGAALMNAPOLB
SCHEMBL10572203 0.77 MAPT (0.72) TSHRMAPTGAAPOLBALDH1A1
SCHEMBL10568810 0.75 MAPT (0.62) TSHRMAPTGAAPOLBALDH1A1
SCHEMBL1101965 0.75 ALDH1A1 (0.79) TSHRMAPTGAALMNAPOLB
SCHEMBL19869734 0.75 MAPT (0.57) TSHRMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL7656561 0.72 KMT2A (0.65) MAPTGAAPOLBALDH1A1SMN1; 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 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 TSHR 1340/4885MAPT 3164/4885GAA 4237/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 TSHR 1182/4885MAPT 3152/4885GAA 4152/4885

“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.