SCHEMBL3523329

SCHEMBL3523329

CS(=O)(=O)Cc1ccc(Br)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.43
CA1 P00915 4/20 0.43
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
S100A4 P26447 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
AKR1B1 P15121 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL30673419 0.81 KDM4E (0.42) KDM4EGLAMAPTMEN1GAA
SCHEMBL560494 0.81 KDM4E (0.42) KDM4EGLAMAPTMEN1GAA
SCHEMBL12982381 0.79 AKR1B1 (0.51) CA2CA1KMT2AAKR1B1
SCHEMBL30797087 0.79 AKR1B1 (0.51) CA2CA1KMT2AAKR1B1
SCHEMBL28671797 0.78 CA2 (0.44) CA2CA1GLAKMT2AL3MBTL1
SCHEMBL3526496 0.75 PSEN1 (0.47) MAPTMEN1GAAKMT2AL3MBTL1
SCHEMBL29429850 0.74 ALDH1A1 (0.39) KDM4EGLAMAPTMEN1KMT2A
SCHEMBL5212613 0.74 S100A4 (0.44) CA2CA1KDM4EMEN1KMT2A
SCHEMBL4449538 0.74 DGAT1 (0.49) CA2CA1KDM4EGLAMAPT
SCHEMBL31424256 0.73 KDM4E (0.36) KDM4EGLAMAPTMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022746-A1 INDAZOLE AND AZAINDAZOLE SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 US disclosed
US-20180022746-A1 INDAZOLE AND AZAINDAZOLE SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
EP-1531812-B1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 US disclosed
EP-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO 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-20180022746-A1 INDAZOLE AND AZAINDAZOLE SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRIK4, GRM4, GRIA4 CA2 3078/4885CA1 3239/4885KDM4E 990/4885
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 CA2 4541/4885CA1 4282/4885KDM4E 4559/4885

“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.