SCHEMBL963739

SCHEMBL963739

O=C(NCCN1CCCC1)c1cccc(-c2cccc(OCCc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.62
GPR52 Q9Y2T5 2/20 0.54
MAP4K4 O95819 2/20 0.53
EPHX2 P34913 1/20 0.48
ATR Q13535 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ERN1 O75460 1/20 0.45
CAMK2D Q13557 1/20 0.44
IKBKB O14920 1/20 0.44
SMYD2 Q9NRG4 1/20 0.44

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
SCHEMBL963967 0.92 MAP4K4 (0.54) F10GPR52MAP4K4EPHX2ATR
SCHEMBL957882 0.85 MAP4K4 (0.54) F10MAP4K4ATRMEN1KMT2A
SCHEMBL961496 0.81 SMYD2 (0.56) GPR52MAP4K4SMYD2
SCHEMBL961526 0.81 MAP4K4 (0.56) GPR52MAP4K4ATRMEN1KMT2A
SCHEMBL1850232 0.80 F10 (0.49) F10GPR52MAP4K4ATRMEN1
SCHEMBL960760 0.80 GPR52 (0.53) F10GPR52MAP4K4ATRMEN1
SCHEMBL963457 0.80 PTGDR (0.54) F10GPR52
SCHEMBL958719 0.79 MAP4K4 (0.54) MAP4K4ATRMEN1KMT2AALDH1A1
SCHEMBL958254 0.79 MAP4K4 (0.54) MAP4K4ATRMEN1KMT2AERN1
SCHEMBL960128 0.77 CNR2 (0.56) GPR52MEN1KMT2AALDH1A1

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 F10 2704/4885GPR52 23/4885MAP4K4 2519/4885

“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.