SCHEMBL4055103

SCHEMBL4055103

Fc1cccc(/C=C/c2nc3cc(Br)ccc3o2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 9/20 0.47
UTRN P46939 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
METAP2 P50579 1/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
RELA Q04206 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
GRM4 Q14833 1/20 0.39
NQO2 P16083 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4055106 1.00 NFE2L2 (0.47) NFE2L2UTRNALDH1A1HPGDSMN1; SMN2
SCHEMBL4052315 0.85 UTRN (0.53) UTRNALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4052311 0.85 UTRN (0.53) UTRNALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4050354 0.82 MEN1 (0.59) NFE2L2UTRNALDH1A1HPGDSMN1; SMN2
SCHEMBL4050352 0.82 MEN1 (0.59) NFE2L2UTRNALDH1A1HPGDSMN1; SMN2
SCHEMBL4059215 0.81 UTRN (0.39) UTRNALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4059220 0.81 UTRN (0.39) UTRNALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4058735 0.80 NFE2L2 (0.43) NFE2L2ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4058728 0.80 NFE2L2 (0.43) NFE2L2ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4056613 0.78 ALDH1A1 (0.43) NFE2L2UTRNALDH1A1HPGDSMN1; SMN2

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 NFE2L2 996/4885UTRN 4874/4885ALDH1A1 3683/4885

“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.