SCHEMBL20607705

SCHEMBL20607705

O=C(O)c1ncc(OCc2ccccc2)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NR4A2 P43354 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
ALKBH1 Q13686 3/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
SRD5A2 P31213 2/20 0.47
MAOB P27338 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
SMPD1 P17405 1/20 0.46
PTGER1 P34995 1/20 0.46
MCL1 Q07820 1/20 0.45
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL20607747 0.86 PDGFRB (0.49) P4HTMMEN1KMT2APDGFRBPDGFRA
SCHEMBL1921588 0.84 P4HTM (0.57) P4HTMMEN1KMT2ANR4A2NR4A1
Hydrochloric Acid SCHEMBL1921639 0.82 P4HTM (0.56) P4HTMMEN1KMT2ANR4A2NR4A1
SCHEMBL10707032 0.82 P4HTM (0.56) P4HTMMEN1KMT2ANR4A2NR4A1
SCHEMBL22854303 0.79 TDP1 (0.54) P4HTMMEN1KMT2A
SCHEMBL19691724 0.78 PDGFRB (0.51) P4HTMMEN1KMT2APDGFRBPDGFRA
SCHEMBL7413609 0.77 PDGFRB (0.54) P4HTMALKBH1PDGFRBPDGFRAMAOB
SCHEMBL1330323 0.77 MAOB (0.50) P4HTMPDGFRBPDGFRAMAOB
SCHEMBL4658609 0.77 MAOB (0.50) P4HTMPDGFRBPDGFRAMAOB
SCHEMBL20607933 0.77 PTGER1 (0.54) P4HTMMEN1KMT2APTGER1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3971191-A1 BORON-CONTAINING SMALL MOLECULES Bill And Melinda Gates Foundation (US) 2022-03-23 EP disclosed
CN-113563368-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-10-29 CN disclosed
CN-113321672-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-08-31 CN disclosed
EP-3423065-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2021-07-21 EP disclosed
CN-109195608-B Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-05-11 CN disclosed
US-10919916-B2 Boron-containing small molecules BILL & MELINDA GATES FOUNDATION (US) 2021-02-16 US disclosed
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BILL & MELINDA GATES FOUNDATION (US) 2020-08-06 US disclosed
US-10611780-B2 Boron-containing small molecules BILL AND MELINDA GATES FOUNDATION (US) 2020-04-07 US disclosed
US-20190077814-A1 BORON-CONTAINING SMALL MOLECULES GATES FOUNDATION 2019-03-14 US disclosed
CN-109195608-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2019-01-11 CN disclosed
EP-3423065-A1 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2019-01-09 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 (4 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-20190077814-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD P4HTM 1527/4885MEN1 412/4885KMT2A 4315/4885
US-10919916-B2 Boron-containing small molecules BCL6B, BLVRB, BTD P4HTM 1527/4885MEN1 412/4885KMT2A 4315/4885
US-10611780-B2 Boron-containing small molecules BCL6B, BLVRB, BTD P4HTM 1527/4885MEN1 412/4885KMT2A 4315/4885
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD P4HTM 1527/4885MEN1 412/4885KMT2A 4315/4885

“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.