SCHEMBL3288585

SCHEMBL3288585

COc1cc(F)ccc1-c1ncccc1CNC(=O)N(S)c1cccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 4/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN2B Q13224 1/20 0.41
SMO Q99835 1/20 0.40
MAPK8 P45983 2/20 0.40
CTSA P10619 1/20 0.39
DGAT2 Q96PD7 2/20 0.38
P2RX7 Q99572 3/20 0.37
CARM1 Q86X55 2/20 0.37
WDR5 P61964 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PRMT6 Q96LA8 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
SCHEMBL3287255 0.93 CTSA (0.40) ROCK2ROCK1SMOMAPK8CTSA
SCHEMBL3293408 0.90 NPC1 (0.42) ROCK2ROCK1SMOMAPK8P2RX7
SCHEMBL3287395 0.87 P2RX7 (0.38) MAPK8P2RX7CARM1
SCHEMBL3290856 0.86 MAPK8 (0.43) ROCK2ROCK1SMOMAPK8P2RX7
SCHEMBL3296053 0.83 P2RX7 (0.39) KCNH2P2RX7ALDH1A1
SCHEMBL3288432 0.83 HSD17B13 (0.42) MAPK8P2RX7
SCHEMBL3289950 0.82 MAPK8 (0.41) MAPK8P2RX7
SCHEMBL3288908 0.81 P2RX7 (0.39) MAPK8P2RX7
SCHEMBL3288632 0.79 P2RX7 (0.39) MAPK8P2RX7CARM1PRMT6
SCHEMBL3288581 0.78 MEN1 (0.46) DGAT2ALDH1A1

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 ROCK2 3417/4885ROCK1 3514/4885KCNH2 333/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 ROCK2 3417/4885ROCK1 3514/4885KCNH2 333/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 ROCK2 3417/4885ROCK1 3514/4885KCNH2 333/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 ROCK2 3531/4885ROCK1 3661/4885KCNH2 281/4885

“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.