SCHEMBL7800095

SCHEMBL7800095

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 4/20 0.42
MAPK1 P28482 4/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
ROCK2 O75116 4/20 0.42
BRPF1 P55201 2/20 0.41
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR1 P21453 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
MAP4K1 Q92918 3/20 0.39

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
SCHEMBL7797922 0.93 KDM4E (0.46) MAP3K5KDM4EALDH1A1KMT2AMAPK1
SCHEMBL8184238 0.90 MAP3K5 (0.44) MAP3K5KDM4EALDH1A1KMT2AMAPK1
SCHEMBL8186096 0.89 ROCK2 (0.46) MAP3K5KDM4EALDH1A1KMT2AMAPK1
SCHEMBL8176110 0.89 MAP3K5 (0.43) MAP3K5KDM4EKMT2AMAPK1MEN1
SCHEMBL7791913 0.88 MAP3K5 (0.43) MAP3K5KDM4EALDH1A1KMT2AMAPK1
SCHEMBL7798063 0.88 KMT2A (0.43) MAP3K5KDM4EALDH1A1KMT2AMAPK1
SCHEMBL7797950 0.87 KDM4E (0.44) MAP3K5KDM4EALDH1A1KMT2AMAPK1
SCHEMBL7799945 0.87 KMT2A (0.46) MAP3K5KDM4EALDH1A1KMT2AMAPK1
SCHEMBL8191509 0.87 MAP3K5 (0.42) MAP3K5KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL7109075 0.86 MAPT (0.50) MAP3K5KDM4EALDH1A1KMT2AMAPK1

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 1 patent. 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

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 2929/4885KDM4E 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.