SCHEMBL4059837

SCHEMBL4059837

COc1ccc(-c2nc3ccc(Br)cc3o2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.63
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TP53 P04637 4/20 0.60
GPR119 Q8TDV5 3/20 0.55
APP P05067 4/20 0.54
MAPT P10636 6/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.52
HSPD1 P10809 1/20 0.49
HSPE1 P61604 1/20 0.49
ESR1 P03372 1/20 0.49

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
SCHEMBL28509208 0.91 APP (0.61) HDAC6NPC1RAB9ASMN1; SMN2TP53
SCHEMBL29364586 0.91 APP (0.61) HDAC6NPC1RAB9ASMN1; SMN2TP53
SCHEMBL23387567 0.86 NPC1 (0.59) HDAC6NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4053543 0.85 NPC1 (0.65) HDAC6NPC1RAB9ASMN1; SMN2TP53
SCHEMBL11561164 0.84 NPC1 (0.68) HDAC6NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2582851 0.83 NPC1 (0.63) NPC1RAB9ASMN1; SMN2TP53GPR119
SCHEMBL4051615 0.83 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53GPR119
SCHEMBL12639218 0.83 MAPT (0.62) HDAC6NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4228077 0.82 ESR1 (0.74) HDAC6NPC1RAB9ASMN1; SMN2TP53
SCHEMBL11565965 0.82 NPC1 (0.58) HDAC6NPC1RAB9ASMN1; SMN2TP53

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 HDAC6 698/4885NPC1 4740/4885RAB9A 1184/4885

“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.