SCHEMBL19869958

SCHEMBL19869958

Cc1cc(Br)ccc1S(=O)(=O)NCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
CA2 P00918 2/20 0.59
CA1 P00915 1/20 0.59
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
MEP1B Q16820 1/20 0.43
KLK7 P49862 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 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
SCHEMBL25174162 0.88 GAA (0.53) GAACA2CA1CYP2C9CYP2C19
SCHEMBL16735334 0.83 CA1 (0.61) GAACA2CA1NPSR1PKM
SCHEMBL30309662 0.83 CA1 (0.61) GAACA2CA1NPSR1PKM
SCHEMBL16118202 0.82 CA1 (0.59) GAACA2CA1CYP2C19RECQL
SCHEMBL19869955 0.81 GAA (0.64) GAACYP2C9CYP2C19RECQLTSHR
SCHEMBL16098346 0.81 CA1 (0.66) GAACA2CA1MEP1BGLA
SCHEMBL4520487 0.77 CA1 (0.58) GAACA2CA1NPSR1POLB
SCHEMBL6034599 0.77 GAA (0.59) GAACYP2C9CYP2C19RECQLPOLB
SCHEMBL4521279 0.76 TDP1 (0.64) GAACA2CA1NPSR1POLB
SCHEMBL2927161 0.76 POLB (0.64) CA2CA1TSHRPOLBSIGMAR1

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 4237/4885CA2 3800/4885CA1 4570/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 GAA 4152/4885CA2 3455/4885CA1 4439/4885

“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.