SCHEMBL5874017

SCHEMBL5874017

COc1ccc(C(=O)Nc2cc(Br)c3c(c2)CNCC3)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ROCK2 O75116 2/20 0.49
PRKG1 Q13976 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.48
MELK Q14680 3/20 0.45
HPSE Q9Y251 2/20 0.45
ALDH1A1 P00352 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
ITGA2 P17301 1/20 0.44

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
SCHEMBL5874093 0.91 MAPT (0.50) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL5874041 0.89 MAPT (0.56) MAPTKDM4ECYP3A4CYP2C19KMT2A
SCHEMBL5874146 0.88 ROCK2 (0.45) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL5874026 0.83 MELK (0.41) RAB9ANPC1SMN1; SMN2ROCK2PRKG1
SCHEMBL5874089 0.82 MAPT (0.46) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL5874021 0.82 MEN1 (0.56) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL5874036 0.81 S1PR1 (0.43) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL5874028 0.81 SMN1; SMN2 (0.51) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL5874215 0.81 MAPT (0.45) MAPTKDM4ECYP3A4CYP2C19KMT2A
SCHEMBL5874134 0.80 MAPT (0.53) MAPTKDM4ECYP3A4CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 3805/4885KDM4E 2422/4885CYP1A2 369/4885
US-20040142964-A1 Novel compounds GRIN2C, GRIN2A, NLN MAPT 239/4885KDM4E 1478/4885CYP1A2 766/4885

“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.