SCHEMBL960128

SCHEMBL960128

O=C(Nc1ccccn1)c1cccc(-c2cccc(OCCc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.50
GPR52 Q9Y2T5 2/20 0.49
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
RAB9A P51151 1/20 0.45
CNR1 P21554 1/20 0.43
GRM5 P41594 1/20 0.43
KCNMA1 Q12791 1/20 0.43
PTGDR Q13258 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL962920 0.92 CNR2 (0.57) CNR2SIRT2ALDH1A1SMN1; SMN2NPC1
SCHEMBL13070651 0.91 CNR2 (0.49) CNR2SIRT2GPR52ALDH1A1SMN1; SMN2
SCHEMBL963457 0.82 PTGDR (0.54) GPR52NPC1RAB9APTGDRL3MBTL1
SCHEMBL959928 0.79 SIRT2 (0.52) CNR2SIRT2GPR52GRM5ADORA3
SCHEMBL12919104 0.79 SIRT2 (0.48) CNR2SIRT2GPR52ALDH1A1SMN1; SMN2
SCHEMBL963739 0.77 F10 (0.62) GPR52ALDH1A1MEN1KMT2A
SCHEMBL958209 0.73 NR4A2 (0.63) NPC1RAB9APTGDR
SCHEMBL30643223 0.73 GRM5 (0.67) CNR2SIRT2ALDH1A1SMN1; SMN2NPC1
SCHEMBL28671588 0.73 GRM5 (0.67) CNR2SIRT2ALDH1A1SMN1; SMN2NPC1
SCHEMBL14152323 0.72 CNR2 (1.00) CNR2SIRT2ALDH1A1SMN1; SMN2NPC1

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 CNR2 36/4885SIRT2 927/4885GPR52 23/4885

“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.