SCHEMBL963056

SCHEMBL963056

Cc1cccc(CCOc2cccc(-c3cccc(C(=O)Nc4ccnc(C)c4)c3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.51
KCNK3 O14649 4/20 0.47
KCNK9 Q9NPC2 4/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
NR1H4 Q96RI1 3/20 0.45
NT5E P21589 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
KCNH2 Q12809 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BRAF P15056 1/20 0.40
FLT1 P17948 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
SCHEMBL963749 0.90 GPR52 (0.49) GPR52KCNK3KCNK9MEN1KMT2A
SCHEMBL958231 0.81 GPR52 (0.53) GPR52NR1H4
SCHEMBL959337 0.81 GPR52 (0.75) GPR52MEN1KMT2AMAPT
SCHEMBL12919106 0.78 MEN1 (0.53) GPR52MEN1KMT2AMAPTALDH1A1
SCHEMBL12919108 0.77 GPR52 (0.47) GPR52MEN1KMT2AMAPTALDH1A1
SCHEMBL19662756 0.76 NT5E (0.71) KCNK3KCNK9MEN1KMT2ANT5E
SCHEMBL12919103 0.75 GPR52 (0.50) GPR52MEN1KMT2AMAPTNR1H4
SCHEMBL12947658 0.74 MAPT (0.49) GPR52MEN1KMT2AMAPTNR1H4
SCHEMBL12919166 0.74 POLB (0.52) GPR52KCNK3KCNK9MEN1KMT2A
SCHEMBL12919163 0.74 MAPT (0.49) GPR52MEN1KMT2AMAPTNR1H4

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 4 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

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 23/4885KCNK3 885/4885KCNK9 1166/4885

“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.