SCHEMBL5874134

SCHEMBL5874134

CCOc1ccc(C(=O)Nc2cc(Cl)c3c(c2)CNCC3)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
NR4A1 P22736 1/20 0.52
TP53 P04637 3/20 0.51
NPC1 O15118 2/20 0.50

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
SCHEMBL5874041 0.91 MAPT (0.56) MAPTMEN1KMT2ALMNAHSD17B10
SCHEMBL5874020 0.91 MEN1 (0.59) MAPTMEN1KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL5874014 0.90 MEN1 (0.58) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL5874093 0.89 MAPT (0.50) MAPTMEN1KMT2ALMNAHSD17B10
SCHEMBL5874021 0.89 MEN1 (0.56) MAPTMEN1KMT2ALMNAHSD17B10
SCHEMBL5874128 0.89 MEN1 (0.48) MAPTMEN1KMT2ALMNAHSD17B10
SCHEMBL5874036 0.88 S1PR1 (0.43) MAPTMEN1KMT2ALMNAHSD17B10
SCHEMBL5874047 0.87 LMNA (0.47) MAPTMEN1KMT2ALMNAHSD17B10
SCHEMBL5874031 0.86 SLC2A1 (0.44) MAPTLMNAHSD17B10KDM4EPOLB
SCHEMBL5874062 0.86 MEN1 (0.46) MAPTMEN1KMT2ALMNAHSD17B10

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 MAPT 3805/4885MEN1 2021/4885KMT2A 1634/4885
US-20040142964-A1 Novel compounds GRIN2C, GRIN2A, NLN MAPT 239/4885MEN1 2632/4885KMT2A 851/4885

“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.