SCHEMBL964557

SCHEMBL964557

N#CCCNC(=O)c1cccc(-c2cccc(Oc3cc(Cl)cc(Cl)c3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.50
PRKD1 Q15139 1/20 0.43
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
GRM5 P41594 5/20 0.40
MAP4K4 O95819 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
GUSB P08236 1/20 0.38
CNR1 P21554 1/20 0.37
SNCA P37840 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL961007 0.93 GPR52 (0.47) GPR52PRKD1NR1H2NR1H3GRM5
SCHEMBL962211 0.92 GPR52 (0.48) GPR52PRKD1BCL2L1MCL1NR1H2
SCHEMBL963876 0.91 GPR52 (0.45) GPR52PRKD1NR1H2NR1H3GRM5
SCHEMBL958467 0.88 GPR52 (0.63) GPR52BCL2L1MCL1GRM5MAP4K4
SCHEMBL960449 0.86 PRKD1 (0.45) GPR52PRKD1NR1H2NR1H3GRM5
SCHEMBL958528 0.86 GPR52 (0.56) GPR52BCL2L1MCL1GRM5MAP4K4
SCHEMBL963502 0.85 GPR52 (0.46) GPR52PRKD1NR1H2NR1H3MAP4K4
SCHEMBL961353 0.85 MAPT (0.48) PRKD1TP53MAPTLOXL2SNCA
SCHEMBL959544 0.85 GPR52 (0.45) GPR52PRKD1NR1H2NR1H3MAP4K4
SCHEMBL957800 0.84 GPR52 (0.50) GPR52BCL2L1MCL1NR1H2NR1H3

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 23/4885PRKD1 4545/4885BCL2L1 1729/4885

“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.