SCHEMBL4053590

SCHEMBL4053590

O=[N+]([O-])c1cccc(-c2nc3ccc(Br)cc3o2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.66
NPC1 O15118 9/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
MAPT P10636 6/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 3/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
LMNA P02545 1/20 0.62
CASP3 P42574 1/20 0.62
ELANE P08246 1/20 0.57
MMP13 P45452 3/20 0.56
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP8 P22894 2/20 0.53
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52

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
SCHEMBL3137128 0.89 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL6681494 0.85 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL2491306 0.84 MMP2 (0.72) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4153246 0.83 RAB9A (0.75) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL3962448 0.81 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7921287 0.81 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4052337 0.80 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL2246143 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL221311 0.80 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4056629 0.79 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTMEN1

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-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.