SCHEMBL4855173

SCHEMBL4855173

CC(C)(C)OC(=O)Nc1ccc(CO)cc1I

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.43
KCNQ5 Q9NR82 3/20 0.43
CYP17A1 P05093 2/20 0.41
LCK P06239 1/20 0.39
HDAC1 Q13547 1/20 0.38
MAPK14 Q16539 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AKT1 P31749 1/20 0.36
BRD4 O60885 1/20 0.36
SCN9A Q15858 1/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 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
SCHEMBL12209772 0.87 KCNQ4 (0.42) KCNQ4KCNQ5CYP17A1HDAC1MAPK14
SCHEMBL17369609 0.87 KCNQ4 (0.51) KCNQ4KCNQ5CYP17A1LCKHDAC1
SCHEMBL5162892 0.84 SMN1; SMN2 (0.48) KCNQ4KCNQ5CYP17A1LCKPPARG
SCHEMBL28207323 0.83 CYP17A1 (0.50) KCNQ4KCNQ5CYP17A1LCKMAPK14
SCHEMBL16399532 0.83 KCNQ4 (0.43) KCNQ4KCNQ5CYP17A1LCKMAPK14
SCHEMBL21549466 0.82 HPGD (0.49) KCNQ4KCNQ5CYP17A1RXFP1CNR2
SCHEMBL15752675 0.82 PYGL (0.48) KCNQ4KCNQ5GAA
SCHEMBL11999996 0.81 LCK (0.44) KCNQ4KCNQ5CYP17A1LCKBRD4
SCHEMBL27402035 0.81 KCNQ4 (0.42) KCNQ4KCNQ5CYP17A1LCKHDAC1
SCHEMBL22411865 0.80 KCNQ4 (0.46) KCNQ4KCNQ5CYP17A1LCKMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 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 (2 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 KCNQ4 3480/4885KCNQ5 3146/4885CYP17A1 1736/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 KCNQ4 3455/4885KCNQ5 3025/4885CYP17A1 2830/4885

“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.