SCHEMBL960213

SCHEMBL960213

COc1ccc(CCOc2ccnc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.52
SIGMAR1 Q99720 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
MAP4K4 O95819 1/20 0.48
SMYD2 Q9NRG4 3/20 0.48
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD4 P21917 2/20 0.46

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
SCHEMBL960654 0.92 F10 (0.55) F10SIGMAR1HRH3SMYD2KMT2A
SCHEMBL959854 0.89 F10 (0.51) F10SIGMAR1HRH3MAP4K4SMYD2
SCHEMBL962179 0.89 F10 (0.51) F10SIGMAR1HRH3MAP4K4SMYD2
SCHEMBL958591 0.89 F10 (0.52) F10SIGMAR1HRH3MAPK1KMT2A
SCHEMBL963885 0.88 F10 (0.51) F10SIGMAR1HRH3MAP4K4MAPK1
SCHEMBL960760 0.87 GPR52 (0.53) F10SIGMAR1HRH3MAP4K4KMT2A
SCHEMBL12918993 0.84 ABCB1 (0.52) F10HRH3MAP4K4MAPK1
SCHEMBL12919003 0.82 ABCB1 (0.53) F10MAP4K4KMT2A
SCHEMBL960347 0.80 PTGDR (0.53) MAPK1KMT2A
SCHEMBL12919090 0.80 MAP4K4 (0.54) MAP4K4KMT2A

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 F10 2704/4885SIGMAR1 320/4885HRH3 183/4885

“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.