SCHEMBL5874077

SCHEMBL5874077

CCc1ccc(C(=O)Nc2cc(Cl)c3c(c2)CNCC3)cc1C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.44
MELK Q14680 3/20 0.43
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41
CYP3A4 P08684 1/20 0.40
ITGB3 P05106 4/20 0.39
ITGA2 P17301 4/20 0.39
ITGA2B P08514 3/20 0.38
ROCK2 O75116 3/20 0.38
PRKG1 Q13976 2/20 0.38
PRKCE Q02156 1/20 0.37
PKN2 Q16513 1/20 0.37
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5874031 0.88 SLC2A1 (0.44) SLC2A1MELKF2PLGPLAU
SCHEMBL5874128 0.86 MEN1 (0.48) SLC2A1MELKCYP3A4ROCK2PRKG1
SCHEMBL5874013 0.85 MELK (0.43) SLC2A1MELKF2PLGPLAU
SCHEMBL5874169 0.83 SLC2A1 (0.42) SLC2A1MELKF2PLGPLAU
SCHEMBL5874020 0.81 MEN1 (0.59) SLC2A1CYP3A4ROCK2PRKG1KDM4E
Hydrochloric Acid SCHEMBL5874014 0.80 MEN1 (0.58) SLC2A1CYP3A4ROCK2PRKG1KDM4E
SCHEMBL5874028 0.79 SMN1; SMN2 (0.51) SLC2A1CYP3A4ROCK2PRKG1KDM4E
SCHEMBL5874134 0.79 MAPT (0.53) CYP3A4KDM4EKMT2AMEN1NPC1
SCHEMBL5874108 0.78 RORC (0.47) SLC2A1MELKF2PLGPLAU
SCHEMBL5874047 0.77 LMNA (0.47) SLC2A1CYP3A4ROCK2PRKG1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1192022-C Novel compound SMITHKLINE BEECHAM PLC (GB) 2005-03-09 CN claimed
US-20040142964-A1 Novel compounds SMITHKLINE BEECHAM P.L.C. 2004-07-22 US claimed
EP-1367055-A1 Isoquinolinyl carboxamides and their use as anticonvulsants SMITHKLINE BEECHAM PLC (GB) 2003-12-03 EP claimed
US-20030036551-A1 Novel compounds SMITHKLINE BEECHAM P.L.C. 2003-02-20 US claimed
CN-1390205-A Novel compound SMITHKLINE BEECHAM PLC (GB) 2003-01-08 CN claimed
US-6492388-B1 SUCH AS N-(5-CHLORO-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-4-ETHOXYBENZAMIDE SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-10 US claimed
US-7105536-B2 Compounds SMITHKLINE BEECHAM PLC (GB) 2006-09-12 US disclosed
CN-1192022-C Novel compound SMITHKLINE BEECHAM PLC (GB) 2005-03-09 CN disclosed
US-6770657-B2 ARYL OR HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATES POSSESS ANTI-CONVULSANT ACTIVITY AND ARE THEREFORE BELIEVED TO BE USEFUL IN THE TREATMENT AND/OR PREVENTION OF MANY DISEASES SMITHKLINE BEECHAM P.L.C. (GB) 2004-08-03 US disclosed
US-20040142964-A1 Novel compounds SMITHKLINE BEECHAM P.L.C. 2004-07-22 US disclosed
EP-1367055-A1 Isoquinolinyl carboxamides and their use as anticonvulsants SMITHKLINE BEECHAM PLC (GB) 2003-12-03 EP disclosed
US-20030036551-A1 Novel compounds SMITHKLINE BEECHAM P.L.C. 2003-02-20 US disclosed
US-6492388-B1 SUCH AS N-(5-CHLORO-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-4-ETHOXYBENZAMIDE SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-10 US disclosed
EP-1200409-A2 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2002-05-02 EP disclosed
WO-2001002366-A2 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS INTICONVULSANTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-11 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-20030036551-A1 Novel compounds SCN1B, CNR1, SCN1A SLC2A1 1579/4885MELK 4526/4885F2 1310/4885
US-20040142964-A1 Novel compounds GRIN2C, GRIN2A, NLN SLC2A1 3470/4885MELK 2366/4885F2 3960/4885

“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.