SCHEMBL5874084

SCHEMBL5874084

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
NR4A1 P22736 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 3/20 0.43
NPC1 O15118 2/20 0.41
MAPK1 P28482 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MELK Q14680 1/20 0.40
ROCK2 O75116 2/20 0.40
PRKG1 Q13976 1/20 0.40

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
SCHEMBL5874146 0.90 ROCK2 (0.45) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL5874062 0.89 MEN1 (0.46) MAPTMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL5874041 0.89 MAPT (0.56) MAPTMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL5874089 0.86 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL5874021 0.86 MEN1 (0.56) MAPTMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL5874215 0.85 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL5874065 0.84 MEN1 (0.53) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL5874078 0.81 ROCK2 (0.47) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL5874134 0.81 MAPT (0.53) MAPTMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL5874017 0.80 MAPT (0.53) MAPTMEN1KMT2ASMN1; SMN2NPC1

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 12 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
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
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.