SCHEMBL4587537

SCHEMBL4587537

ON=C(Cc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
XDH P47989 2/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CTSL P07711 1/20 0.44
MGLL Q99685 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CTBP2 P56545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
CNR2 P34972 1/20 0.41
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 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
SCHEMBL4587535 1.00 SMN1; SMN2 (0.50) SMN1; SMN2XDHKDM4EL3MBTL1MAPK1
SCHEMBL29510064 0.93 KDM4E (0.50) SMN1; SMN2XDHKDM4EL3MBTL1MAPK1
SCHEMBL4586157 0.86 CTSL (0.55) SMN1; SMN2XDHKDM4ECTSLMGLL
SCHEMBL4586154 0.86 CTSL (0.55) SMN1; SMN2XDHKDM4ECTSLMGLL
SCHEMBL257218 0.86 CTSL (0.55) SMN1; SMN2XDHKDM4ECTSLMGLL
SCHEMBL8407033 0.83 MGLL (0.58) SMN1; SMN2XDHKDM4ECTSLMGLL
SCHEMBL4586342 0.81 ALDH1A1 (0.51) SMN1; SMN2XDHKDM4EL3MBTL1CTSL
SCHEMBL28487187 0.81 L3MBTL1 (0.58) SMN1; SMN2XDHKDM4EL3MBTL1MEN1
SCHEMBL4586337 0.81 ALDH1A1 (0.51) SMN1; SMN2XDHKDM4EL3MBTL1CTSL
SCHEMBL13853886 0.81 KDM4E (0.54) SMN1; SMN2XDHKDM4EL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556364-A4 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP (KR) 2008-04-16 EP disclosed
US-6967213-B2 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2005-11-22 US disclosed
EP-1556364-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ Corp. (KR) 2005-07-27 EP disclosed
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed
WO-2004035553-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP. (KR) 2004-04-29 WO disclosed
US-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2004-04-15 US disclosed
EP-0809636-B1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-04 EP disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 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 (1 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-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CYP3A5, CYP2C9, CYP2C19 SMN1; SMN2 3366/4885XDH 2015/4885KDM4E 2784/4885

“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.