SCHEMBL3287255

SCHEMBL3287255

COc1ccc(F)cc1-c1ncccc1CNC(=O)N(S)c1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.40
CARM1 Q86X55 2/20 0.39
SMO Q99835 1/20 0.39
MAPK8 P45983 2/20 0.38
PRMT6 Q96LA8 1/20 0.38
P2RX7 Q99572 5/20 0.37
HCRTR2 O43614 1/20 0.37
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
DGAT2 Q96PD7 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 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
SCHEMBL3288585 0.93 ROCK2 (0.41) CTSACARM1SMOMAPK8PRMT6
SCHEMBL3293408 0.90 NPC1 (0.42) SMOMAPK8P2RX7ROCK2ROCK1
SCHEMBL3287395 0.89 P2RX7 (0.38) CARM1MAPK8P2RX7
SCHEMBL3290856 0.86 MAPK8 (0.43) SMOMAPK8P2RX7ROCK2ROCK1
SCHEMBL3296053 0.83 P2RX7 (0.39) P2RX7ALDH1A1
SCHEMBL3289950 0.82 MAPK8 (0.41) MAPK8P2RX7MEN1KMT2ANPC1
SCHEMBL3288908 0.81 P2RX7 (0.39) MAPK8P2RX7MEN1KMT2ANPC1
SCHEMBL3288432 0.81 HSD17B13 (0.42) MAPK8P2RX7
SCHEMBL3288632 0.79 P2RX7 (0.39) CARM1MAPK8PRMT6P2RX7
SCHEMBL3287252 0.78 ALDH1A1 (0.47) DGAT2ALDH1A1MEN1KMT2A

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 CTSA 1683/4885CARM1 2105/4885SMO 4235/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 CTSA 1683/4885CARM1 2105/4885SMO 4235/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 CTSA 1683/4885CARM1 2105/4885SMO 4235/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CTSA 1779/4885CARM1 1973/4885SMO 4304/4885

“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.