SCHEMBL7791913

SCHEMBL7791913

COc1cc(OC(C)C)c(C(=O)C(C)C)cc1C(=O)Nc1cccc2c1CCN(C)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.43
BRPF1 P55201 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPK1 P28482 3/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ROCK2 O75116 3/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8184238 0.93 MAP3K5 (0.44) MAP3K5BRPF1KMT2AMEN1MAPK1
SCHEMBL8186096 0.88 ROCK2 (0.46) MAP3K5BRPF1KMT2AMEN1MAPK1
SCHEMBL7800095 0.88 MAP3K5 (0.45) MAP3K5BRPF1KMT2AMEN1MAPK1
SCHEMBL8176110 0.88 MAP3K5 (0.43) MAP3K5BRPF1KMT2AMEN1MAPK1
Hydrochloric Acid SCHEMBL7801375 0.88 MAP3K5 (0.41) MAP3K5BRPF1KMT2AMEN1MAPK1
SCHEMBL8185612 0.87 KMT2A (0.46) MAP3K5BRPF1KMT2AMEN1MAPK1
SCHEMBL8191509 0.86 MAP3K5 (0.42) MAP3K5BRPF1KMT2AMEN1MAPK1
SCHEMBL7109075 0.86 MAPT (0.50) MAP3K5KMT2AMEN1MAPK1USP2
SCHEMBL7799922 0.85 KMT2A (0.43) MAP3K5KMT2AMEN1MAPK1L3MBTL1
SCHEMBL8182775 0.85 BRPF1 (0.43) MAP3K5BRPF1KMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAP3K5 2929/4885BRPF1 3288/4885KMT2A 445/4885

“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.