SCHEMBL6176599

SCHEMBL6176599

CC(C)(C)OC(=O)Nc1cc(Br)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.47
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 2/20 0.43
HDAC1 Q13547 1/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.42
THRB P10828 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL13514632 0.88 AAK1 (0.47) AAK1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL1519234 0.87 AAK1 (0.49) AAK1SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL30175900 0.87 AAK1 (0.49) AAK1SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL24509457 0.86 AAK1 (0.48) AAK1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL17878017 0.85 AURKB (0.48) AAK1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL456674 0.84 AAK1 (0.49) AAK1SMN1; SMN2RAB9ANPC1RECQL
SCHEMBL29991534 0.84 AAK1 (0.49) AAK1SMN1; SMN2RAB9ANPC1RECQL
SCHEMBL2031546 0.84 KCNMA1 (0.54) MAPTSMN1; SMN2HPGDNPC1POLB
SCHEMBL16447475 0.84 AAK1 (0.45) AAK1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL458679 0.83 AAK1 (0.46) AAK1MAPTSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704105-B9 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2025-03-05 EP disclosed
EP-3704105-B1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2024-10-16 EP disclosed
CN-111566099-B Antibacterial compounds 迪斯库瓦有限公司 2023-06-02 CN disclosed
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2022-11-24 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
CN-111566099-A Antibacterial compounds 迪斯库瓦有限公司 2020-08-21 CN disclosed
EP-1581529-A1 BENZOXAZINES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3KS WARNER-LAMBERT COMPANY (US) 2005-10-05 EP disclosed
US-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-07-15 US disclosed
WO-2004056820-A1 BENZOXAZINES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3KS WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO 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 (3 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-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 AAK1 3498/4885KMT2A 3966/4885MEN1 2649/4885
US-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents XDH, TBXA2R, TBXAS1 AAK1 1696/4885KMT2A 692/4885MEN1 4292/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS AAK1 2287/4885KMT2A 3728/4885MEN1 3579/4885

“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.