SCHEMBL4058272

SCHEMBL4058272

COc1ccc(-c2nc3ccc(-c4ccco4)cc3o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 4/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAPT P10636 6/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
PTPN7 P35236 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL4059615 0.90 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4061714 0.85 ALOX5 (0.56) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4054502 0.85 NPC1 (0.64) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4063034 0.84 PDE4C (0.57) NPC1SMN1; SMN2TP53MAPTALDH1A1
SCHEMBL4056991 0.83 NPC1 (0.62) RAB9ANPC1SMN1; SMN2TP53HDAC6
SCHEMBL4053161 0.82 ALOX5 (0.52) RAB9ANPC1SMN1; SMN2HDAC6MAPT
SCHEMBL4057792 0.81 PIK3R1 (0.59) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4057106 0.80 ALDH1A1 (0.67) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4050856 0.80 GPR119 (0.55) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4052985 0.80 ALDH1A1 (0.60) RAB9ANPC1SMN1; SMN2TP53MAPT

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B RAB9A 1184/4885NPC1 4740/4885SMN1; SMN2 4289/4885

“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.