SCHEMBL961839

SCHEMBL961839

COc1cccc(CCOc2cccc(-c3cccc(C(=O)NCCN(C(=O)O)C(C)(C)C)c3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.57
AURKA O14965 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
TP53 P04637 2/20 0.45
NAMPT P43490 2/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MMP13 P45452 1/20 0.42
FYN P06241 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL3402485 0.86 GPR52 (0.61) GPR52AURKATP53NAMPTRAB9A
SCHEMBL961206 0.86 GPR52 (0.63) GPR52AURKATP53NAMPTRAB9A
SCHEMBL959859 0.85 GPR52 (0.73) GPR52AURKATP53NAMPTRAB9A
SCHEMBL12918938 0.85 GPR52 (0.61) GPR52AURKATP53NAMPTRAB9A
SCHEMBL12918937 0.84 GPR52 (0.59) GPR52AURKATP53NAMPTRAB9A
Hydrochloric Acid SCHEMBL958163 0.84 GPR52 (0.60) GPR52AURKATP53NAMPTRAB9A
SCHEMBL959095 0.82 GPR52 (0.59) GPR52AURKATP53NAMPTRAB9A
SCHEMBL958255 0.82 GPR52 (0.56) GPR52AURKATP53MMP13ROCK2
SCHEMBL961439 0.81 GPR52 (0.52) GPR52AURKATP53RAB9AMMP13
SCHEMBL961496 0.80 SMYD2 (0.56) GPR52

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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 GPR52 23/4885AURKA 4359/4885SIGMAR1 320/4885

“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.