SCHEMBL6496346

SCHEMBL6496346

CC(=O)N1c2ccc(Br)cc2C(N)C(O)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.37
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HSD17B3 P37058 3/20 0.34
POLB P06746 2/20 0.34
PDGFRA P16234 1/20 0.33
CDK5 Q00535 1/20 0.33
TYRO3 Q06418 1/20 0.33
BRD4 O60885 1/20 0.33
CUL4A Q13619 1/20 0.33
MYC P01106 1/20 0.33
NR4A1 P22736 1/20 0.33
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL9162432 0.82 KMT2A (0.40) KMT2AMEN1ALDH1A1TSHRHTR7
SCHEMBL6496004 0.81 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1TSHRHTR7
SCHEMBL9160614 0.77 KMT2A (0.39) KMT2AMEN1ALDH1A1TSHRHTR7
SCHEMBL16061634 0.70 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1TSHRHSD17B3
SCHEMBL224280 0.69 CYP1A2 (0.36) KMT2AMEN1ALDH1A1TSHRHSD17B3
SCHEMBL17436661 0.67 BRD4 (0.43) KMT2AMEN1ALDH1A1TSHRHSD17B3
SCHEMBL9160662 0.67 MEN1 (0.34) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL19095188 0.66 BRD4 (0.38) KMT2AMEN1ALDH1A1TSHRHSD17B3
SCHEMBL21172599 0.66 BRD4 (0.38) KMT2AMEN1ALDH1A1TSHRHSD17B3
SCHEMBL17436722 0.66 BRD4 (0.38) KMT2AMEN1ALDH1A1TSHRHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881753-B2 Potassium channel inhibitors and method BRISTOL-MYERS SQUIBB CO. (US) 2005-04-19 US disclosed
EP-1109544-A4 POTASSIUM CHANNEL INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-10-27 EP disclosed
US-20040192710-A1 Potassium channel inhibitors and method LLOYD JOHN (US) 2004-09-30 US disclosed
US-6784189-B2 SULFONAMIDE COMPOUNDS CONTAINING BICYCLIC RING STRUCTURE ARE USEFUL AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY 2004-08-31 US disclosed
US-20040067944-A1 Potassium channel inhibitors and method LLOYD JOHN (US) 2004-04-08 US disclosed
US-20040058931-A1 Potassium channel inhibitors and method LLOYD JOHN (US) 2004-03-25 US disclosed
US-6511977-B1 For preventing or treating cardiac arrhythmia or atrial arrhythmia BRISTOL-MYERS SQUIBB COMPANY 2003-01-28 US disclosed
EP-1109544-A1 POTASSIUM CHANNEL INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-27 EP disclosed
US-6150356-A BENZOPYRANS AND DERIVATIVES ARE USED AS POTASSIUM CHANNEL INHIBITORS AND THUS ARE USEFUL AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-21 US disclosed
WO-2000012077-A1 POTASSIUM CHANNEL INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-09 WO disclosed
US-5401848-A Indane and quinoline derivatives E. R. SQUIBB & SONS, INC. (US) 1995-03-28 US disclosed
EP-0488616-A1 Indane and quinoline derivatives E.R. SQUIBB & SONS, INC. (US) 1992-06-03 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 (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-20040058931-A1 Potassium channel inhibitors and method KCNH2, KCNJ2, KCNB1 KMT2A 1569/4885MEN1 3529/4885ALDH1A1 824/4885
US-20040192710-A1 Potassium channel inhibitors and method KCNH2, KCNJ2, KCNB1 KMT2A 1569/4885MEN1 3529/4885ALDH1A1 824/4885
US-20040067944-A1 Potassium channel inhibitors and method KCNH2, KCNJ2, KCNB1 KMT2A 1569/4885MEN1 3529/4885ALDH1A1 824/4885

“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.