SCHEMBL963967

SCHEMBL963967

O=C(NCCN1CCCC1)c1cccc(-c2cccc(OCc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.54
F10 P00742 2/20 0.54
ATR Q13535 2/20 0.48
ALDH1A1 P00352 1/20 0.47
GPR52 Q9Y2T5 1/20 0.47
EPHX2 P34913 1/20 0.47
ERN1 O75460 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CAMK2D Q13557 1/20 0.45
IKBKB O14920 1/20 0.45
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
POLB P06746 1/20 0.44
DRD4 P21917 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
SCHEMBL963739 0.92 F10 (0.62) MAP4K4F10ATRALDH1A1GPR52
SCHEMBL957882 0.86 MAP4K4 (0.54) MAP4K4F10ATRALDH1A1ERN1
SCHEMBL961526 0.81 MAP4K4 (0.56) MAP4K4ATRALDH1A1GPR52ERN1
SCHEMBL958254 0.80 MAP4K4 (0.54) MAP4K4ATRERN1MEN1KMT2A
SCHEMBL958719 0.80 MAP4K4 (0.54) MAP4K4ATRALDH1A1ERN1MEN1
SCHEMBL958209 0.79 NR4A2 (0.63)
SCHEMBL962920 0.77 CNR2 (0.57) ALDH1A1MEN1KMT2A
SCHEMBL961496 0.75 SMYD2 (0.56) MAP4K4GPR52DRD4
SCHEMBL960760 0.74 GPR52 (0.53) MAP4K4F10ATRGPR52MEN1
SCHEMBL12918939 0.73 MAP4K4 (0.51) MAP4K4ATRERN1MEN1KMT2A

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 MAP4K4 2519/4885F10 2704/4885ATR 3271/4885

“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.