Sugi Predict

Sugi Predict / Compounds / SCHEMBL5333856

SCHEMBL5333856

SCHEMBL5333856

COc1ccc(C(=O)c2ccccc2)cc1C(=O)Nc1cc(I)c2c(c1)CNCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ATM Q13315 1/20 0.45
▸ ROCK2 O75116 2/20 0.44
▸ PRKG1 Q13976 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ ITGA2 P17301 1/20 0.41
▸ KCNK3 O14649 1/20 0.41
▸ KCNK9 Q9NPC2 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ HDAC8 Q9BY41 3/20 0.39

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
SCHEMBL6294915 0.86 TP53 (0.45) MAPTALDH1A1RAB9AATMROCK2
SCHEMBL8175249 0.80 MEN1 (0.45) MAPTALDH1A1RAB9AROCK2PRKG1
SCHEMBL6298392 0.76 FLT3 (0.40) MAPTALDH1A1RAB9AROCK2PRKG1
SCHEMBL6299458 0.71 FLT3 (0.46) MAPTALDH1A1RAB9AROCK2PRKG1
SCHEMBL5874028 0.71 SMN1; SMN2 (0.51) MAPTALDH1A1RAB9AATMROCK2
SCHEMBL5874017 0.71 MAPT (0.53) MAPTALDH1A1RAB9AROCK2PRKG1
SCHEMBL6299478 0.69 MEN1 (0.44) MAPTALDH1A1RAB9AROCK2LMNA
SCHEMBL5874093 0.69 MAPT (0.50) MAPTRAB9AROCK2PRKG1LMNA
SCHEMBL5874027 0.69 KCNQ3 (0.52) MAPTALDH1A1RAB9AROCK2PRKG1
SCHEMBL5874078 0.69 ROCK2 (0.47) MAPTROCK2PRKG1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841560-B2 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-11 — — US claimed
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2004-10-21 — — US 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-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders SMITHKLINE BEECHAM P.L.C. 2003-07-31 — — US 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
EP-1200409-A2 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2002-05-02 — — EP claimed
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-08-23 — — US claimed
WO-2001002366-A2 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS INTICONVULSANTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-11 — — WO claimed
EP-0968190-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-05 — — EP claimed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-09-24 — — WO claimed
JP-2007145862-A SUBSTITUTED ISOQUINOLINE DERIVATIVE AND APPLICATION OF THE SAME AS ANTICONVULSANT SMITHKLINE BEECHAM PLC 2007-06-14 — — JP disclosed
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
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 — — EP disclosed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-09-24 — — WO disclosed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-09-24 — — WO disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 — — 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 (5 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 MAPT 3805/4885ALDH1A1 1620/4885RAB9A 2749/4885
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A MAPT 353/4885ALDH1A1 494/4885RAB9A 1671/4885
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A MAPT 353/4885ALDH1A1 494/4885RAB9A 1671/4885
US-20040142964-A1 Novel compounds GRIN2C, GRIN2A, NLN MAPT 239/4885ALDH1A1 1272/4885RAB9A 920/4885
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders PNMT, SLC6A2, GABBR1 MAPT 1087/4885ALDH1A1 464/4885RAB9A 3357/4885

“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.