SCHEMBL3288675

SCHEMBL3288675

O=C(NCc1cccnc1-c1cccc(OC(F)(F)F)c1)N(S)c1cccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
MCTS1 Q9ULC4 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE4C Q08493 1/20 0.39
DGAT2 Q96PD7 3/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
MAPK8 P45983 1/20 0.37
P2RX7 Q99572 4/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
GCGR P47871 1/20 0.36

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
SCHEMBL3290124 0.91 SCN2A (0.47) SCN2ASCN10AMAPK8P2RX7HSD17B13
SCHEMBL3296053 0.86 P2RX7 (0.39) KCNA5KCNH2P2RX7
SCHEMBL3288432 0.83 HSD17B13 (0.42) MAPK8P2RX7HSD17B13
SCHEMBL3288632 0.83 P2RX7 (0.39) KCNA5SCN2ASCN10AMAPK8P2RX7
SCHEMBL3290480 0.79 P2RX7 (0.44) P2RX7
SCHEMBL3290254 0.78 P2RX7 (0.52) MAPK8P2RX7
SCHEMBL3288668 0.78 KCNA5 (0.46) KCNA5KCNH2SCN2ASCN10ADGAT2
SCHEMBL3289950 0.77 MAPK8 (0.41) MAPK8P2RX7
SCHEMBL3287395 0.77 P2RX7 (0.38) MAPK8P2RX7
SCHEMBL3288908 0.77 P2RX7 (0.39) MAPK8P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US 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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 KCNA5 116/4885KCNH2 333/4885SCN2A 1323/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 KCNA5 116/4885KCNH2 333/4885SCN2A 1323/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 KCNA5 116/4885KCNH2 333/4885SCN2A 1323/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 KCNA5 96/4885KCNH2 281/4885SCN2A 1299/4885

“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.