SCHEMBL5874089

SCHEMBL5874089

CCOc1ccc(C(=O)Nc2cc(Br)c3c(c2)CNCC3)cc1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
NR4A1 P22736 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 3/20 0.44
CREBBP Q92793 2/20 0.44
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
ROCK2 O75116 2/20 0.42
PRKG1 Q13976 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MCL1 Q07820 1/20 0.41

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) MAPTMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL5874021 0.89 MEN1 (0.56) MAPTMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL5874128 0.89 MEN1 (0.48) MAPTMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL5874026 0.88 MELK (0.41) SMN1; SMN2TP53NPC1ROCK2PRKG1
SCHEMBL5874215 0.87 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL5874084 0.86 MAPT (0.44) MAPTMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL5874134 0.83 MAPT (0.53) MAPTMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL6601808 0.83 CREBBP (0.47) MAPTMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL5874017 0.82 MAPT (0.53) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5874020 0.80 MEN1 (0.59) MAPTMEN1KMT2ASMN1; SMN2TP53

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 3805/4885MEN1 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.