SCHEMBL958003

SCHEMBL958003

N#CCCNC(=O)c1cccc(-c2cccc(Oc3ccc4c(c3)CCC4)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PRKD1 Q15139 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
GPR52 Q9Y2T5 2/20 0.40
MAPK14 Q16539 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
LOXL2 Q9Y4K0 3/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 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
SCHEMBL962211 0.84 GPR52 (0.48) PRKD1NPC1RAB9ASMN1; SMN2GPR52
SCHEMBL960449 0.84 PRKD1 (0.45) PRKD1GPR52LOXL2MEN1ALDH1A1
SCHEMBL961353 0.83 MAPT (0.48) PRKD1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL961007 0.83 GPR52 (0.47) PRKD1GPR52LOXL2L3MBTL1FYN
SCHEMBL964557 0.82 GPR52 (0.50) PRKD1GPR52LOXL2MAPTL3MBTL1
SCHEMBL961343 0.82 PRKD1 (0.42) PRKD1GPR52LOXL2MAP4K4FYN
SCHEMBL963876 0.81 GPR52 (0.45) PRKD1GPR52FYN
SCHEMBL958148 0.81 FYN (0.42) PRKD1GPR52LOXL2MAPTKMT2A
SCHEMBL12918976 0.81 GPR52 (0.56) RAB9AGAAGPR52LOXL2ALDH1A1
SCHEMBL958851 0.77 FFAR4 (0.49) PRKD1GPR52MEN1KMT2AMAP4K4

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 PPARG 230/4885PRKD1 4545/4885NPC1 2153/4885

“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.