SCHEMBL1013581

SCHEMBL1013581

[c]1sc2ccccc2c1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ADORA2A P29274 1/20 0.36
PDE5A O76074 2/20 0.36
ALDH1A1 P00352 10/20 0.35
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
MAPT P10636 5/20 0.35
HPGD P15428 5/20 0.35
HTT P42858 4/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 3/20 0.35
MAPK1 P28482 2/20 0.35
GLA P06280 1/20 0.35
ACHE P22303 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
F2 P00734 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2956882 0.72 GPR3 (0.37) ADORA2AALDH1A1HTTLMNA
SCHEMBL21295742 0.70 NOTUM (0.40) KDM4ERAB9ANPC1PDE5AALDH1A1
SCHEMBL14782179 0.70 PDPK1 (0.46) KDM4ERAB9ANPC1ADORA2AALDH1A1
SCHEMBL13518120 0.68 MEN1 (0.36) KDM4EL3MBTL1RAB9ANPC1ADORA2A
SCHEMBL5877790 0.68 GPR3 (0.33) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL2966653 0.67 KDM4E (0.35) KDM4EL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL29658035 0.66 ACHE (0.56) KDM4EL3MBTL1RAB9ANPC1ADORA2A
SCHEMBL13130593 0.66 ACHE (0.56) KDM4EL3MBTL1RAB9ANPC1ADORA2A
SCHEMBL29945128 0.66 LTA4H (0.47) KDM4EL3MBTL1RAB9ANPC1ADORA2A
SCHEMBL9927346 0.66 LTA4H (0.47) KDM4EL3MBTL1RAB9ANPC1ADORA2A

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP claimed
CN-101704810-A Cycloalkyl inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO 2010-05-12 CN claimed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US claimed
CN-1732146-A Cycloalkyl inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2006-02-08 CN claimed
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 US claimed
EP-1507504-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-23 EP claimed
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function ICAGEN, INC. 2004-04-15 US claimed
WO-2003063797-A2 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-07 WO claimed
EP-0915837-A1 GLYOXYLIC ACID DERIVATIVES BAYER AG (DE) 1999-05-19 EP claimed
WO-1998003474-A1 GLYOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-01-29 WO claimed
US-5457096-A Antibiotic AMERICAN CYANAMID COMPANY (US) 1995-10-10 US claimed
CN-103534833-B Organic Electroluminescent Multicolor Light-Emitting Device 索尼株式会社 2016-07-20 CN disclosed
CN-105792823-A Pharmaceutical composition for treating malignant tumor 皮特尼制药股份有限公司 2016-07-20 CN disclosed
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 EP disclosed
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
CN-1048240-C Novel T-substituted-9-substituted amino-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID CO (US) 2000-01-12 CN disclosed
EP-0889726-A4 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORP (US) 1999-07-21 EP disclosed
EP-0889726-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-13 EP disclosed
WO-1997025048-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed
CN-1072172-A Novel 7-replacement-9-substituted-amino-6-demethyl-6-deoxidation tsiklomitsin AMERICAN CYANAMID CO (US) 1993-05-19 CN 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 (3 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-20050234106-A1 Cycloalkyl inhibitors of potassium channel function KCNJ2, KCNN3, KCNQ5 KDM4E 820/4885L3MBTL1 1226/4885RAB9A 2415/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 KDM4E 820/4885L3MBTL1 1226/4885RAB9A 2415/4885
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function KCNN1, KCNN2, KCNH2 KDM4E 1323/4885L3MBTL1 1424/4885RAB9A 2296/4885

“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.