SCHEMBL959095

SCHEMBL959095

COc1cccc(CCOc2cccc(-c3cccc(C(=O)NCCC#N)c3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 2/20 0.59
▸ RAB9A P51151 3/20 0.50
▸ TP53 P04637 3/20 0.47
▸ AURKA O14965 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MMP13 P45452 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ EGLN2 Q96KS0 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ WDR5 P61964 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL961206 0.90 GPR52 (0.63) GPR52RAB9ATP53AURKANPC1
SCHEMBL959859 0.89 GPR52 (0.73) GPR52RAB9ATP53AURKANPC1
SCHEMBL3402485 0.88 GPR52 (0.61) GPR52RAB9ATP53AURKANPC1
SCHEMBL12918938 0.88 GPR52 (0.61) GPR52RAB9ATP53AURKANPC1
SCHEMBL961663 0.88 GPR52 (0.64) GPR52AURKAMAPTNAMPT
Hydrochloric Acid SCHEMBL958163 0.88 GPR52 (0.60) GPR52RAB9ATP53AURKANPC1
SCHEMBL961353 0.85 MAPT (0.48) RAB9ATP53AURKANPC1ALDH1A1
SCHEMBL960922 0.85 GPR52 (0.81) GPR52ALDH1A1ROCK2
SCHEMBL958255 0.85 GPR52 (0.56) GPR52TP53AURKAMMP13MAPT
SCHEMBL12918937 0.84 GPR52 (0.59) GPR52RAB9ATP53AURKANPC1

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 5 patents. 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
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 — — US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 — — US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 — — EP disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 — — EP 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 23/4885RAB9A 1785/4885TP53 4432/4885

“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.

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