SCHEMBL4059220

SCHEMBL4059220

FC(F)(F)Oc1cccc(C=Cc2nc3cc(Br)ccc3o2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHEK1 O14757 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
USP30 Q70CQ3 1/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PIM1 P11309 2/20 0.35
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35

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
SCHEMBL4059215 1.00 UTRN (0.39) UTRNMEN1KMT2AALDH1A1HPGD
SCHEMBL4051222 0.84 MEN1 (0.56) UTRNMEN1KMT2AALDH1A1HPGD
SCHEMBL4051217 0.84 MEN1 (0.56) UTRNMEN1KMT2AALDH1A1HPGD
SCHEMBL4053351 0.81 ALDH1A1 (0.41) UTRNMEN1KMT2AALDH1A1HPGD
SCHEMBL4053353 0.81 ALDH1A1 (0.41) UTRNMEN1KMT2AALDH1A1HPGD
SCHEMBL4055106 0.81 NFE2L2 (0.47) UTRNMEN1KMT2AALDH1A1HPGD
SCHEMBL4055103 0.81 NFE2L2 (0.47) UTRNMEN1KMT2AALDH1A1HPGD
SCHEMBL4052311 0.79 UTRN (0.53) UTRNMEN1KMT2AALDH1A1HPGD
SCHEMBL4052315 0.79 UTRN (0.53) UTRNMEN1KMT2AALDH1A1HPGD
SCHEMBL4060500 0.76 ERBB2 (0.46) UTRNMEN1KMT2AALDH1A1HPGD

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 3 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-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 UTRN 4874/4885MEN1 3709/4885KMT2A 784/4885

“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.