SCHEMBL7109075

SCHEMBL7109075

COc1cc(OC)c(C(=O)Nc2cccc3c2CCN(C)C3)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPK1 P28482 3/20 0.47
USP2 O75604 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 3/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAP3K5 Q99683 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOA P21397 2/20 0.43

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
SCHEMBL8185612 0.93 KMT2A (0.46) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL8184618 0.92 KMT2A (0.46) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL7797922 0.92 KDM4E (0.46) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL8175290 0.92 KMT2A (0.48) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL7797989 0.90 MEN1 (0.51) MAPTLMNAKMT2AMEN1MAPK1
SCHEMBL8184601 0.90 KMT2A (0.49) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL7801364 0.90 KMT2A (0.56) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL8184224 0.90 MEN1 (0.44) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL7798003 0.89 MAPT (0.45) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL8176766 0.88 ALDH1A1 (0.50) MAPTALDH1A1LMNAHTTKMT2A

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-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US claimed
EP-0944598-B1 SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-09-24 EP disclosed
US-6395759-B1 PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-28 US disclosed
US-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-09-27 US disclosed
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
EP-1025087-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-08-09 EP disclosed
EP-0944598-A2 SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-09-29 EP disclosed
WO-1999021836-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 WO disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1998024764-A2 SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM P.L.C. (GB) 1998-06-11 WO disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed
US-4022900-A Compositions containing 1,2,3,4-tetrahydroisoquinolines used as hypotensive agents MARION LABORATORIES, INC. (US) 1977-05-10 US 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 (1 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-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A MAPT 353/4885KDM4E 910/4885ALDH1A1 494/4885

“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.