SCHEMBL963885

SCHEMBL963885

COc1ccc(CCOc2ccnc(-c3cccc(C(=O)NCCN4CCCC4)c3)n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.51
SIGMAR1 Q99720 2/20 0.49
HRH3 Q9Y5N1 3/20 0.48
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
APEX1 P27695 1/20 0.46
CASP1 P29466 1/20 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
SCHEMBL958591 0.91 F10 (0.52) F10SIGMAR1HRH3KMT2AMAPK1
SCHEMBL960760 0.91 GPR52 (0.53) F10SIGMAR1HRH3KMT2ATP53
SCHEMBL959854 0.88 F10 (0.51) F10SIGMAR1HRH3KMT2AMAPK1
SCHEMBL960213 0.88 F10 (0.52) F10SIGMAR1HRH3KMT2AMAPK1
SCHEMBL960654 0.86 F10 (0.55) F10SIGMAR1HRH3KMT2ASMN1; SMN2
SCHEMBL12919090 0.84 MAP4K4 (0.54) KMT2ATP53MAPTNPC1KDM4E
SCHEMBL962179 0.83 F10 (0.51) F10SIGMAR1HRH3KMT2AMAPK1
SCHEMBL12918993 0.83 ABCB1 (0.52) F10HRH3MAPK1TP53POLB
SCHEMBL12919003 0.81 ABCB1 (0.53) F10KMT2ARAB9AMAP4K4TLR9
SCHEMBL13070871 0.81 OPRM1 (0.47) SIGMAR1KMT2AMAPK1TP53POLB

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.