SCHEMBL4054520

SCHEMBL4054520

COc1cccc(-c2nc3cc(Br)ccc3o2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.74
TP53 P04637 7/20 0.74
RAB9A P51151 6/20 0.74
HSD17B10 Q99714 5/20 0.74
NPC1 O15118 5/20 0.74
ALDH1A1 P00352 4/20 0.74
HPGD P15428 4/20 0.74
KDM4E B2RXH2 3/20 0.74
NFKB1 P19838 3/20 0.74
NFKB2 Q00653 3/20 0.74
RELA Q04206 3/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
GLA P06280 1/20 0.74
UTRN P46939 1/20 0.60
MAPT P10636 5/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
CASP3 P42574 2/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL4053543 0.89 NPC1 (0.65) SMN1; SMN2TP53RAB9AHSD17B10NPC1
SCHEMBL12639231 0.84 RAB9A (0.74) SMN1; SMN2TP53RAB9AHSD17B10NPC1
SCHEMBL4051577 0.84 SMN1; SMN2 (0.74) SMN1; SMN2TP53RAB9AHSD17B10NPC1
SCHEMBL592290 0.83 ALDH1A1 (0.72) SMN1; SMN2TP53RAB9AHSD17B10NPC1
SCHEMBL14302714 0.82 TP53 (0.70) SMN1; SMN2TP53RAB9AHSD17B10NPC1
SCHEMBL1675296 0.80 ALDH1A1 (0.67) SMN1; SMN2TP53RAB9AHSD17B10NPC1
SCHEMBL4057106 0.80 ALDH1A1 (0.67) SMN1; SMN2TP53RAB9AHSD17B10NPC1
SCHEMBL9966868 0.79 SMN1; SMN2 (0.66) SMN1; SMN2TP53RAB9AHSD17B10NPC1
SCHEMBL29407356 0.79 SMN1; SMN2 (0.66) SMN1; SMN2TP53RAB9AHSD17B10NPC1
SCHEMBL4052772 0.79 NPC1 (0.69) SMN1; SMN2TP53RAB9AHSD17B10NPC1

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 SMN1; SMN2 4289/4885TP53 842/4885RAB9A 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.