SCHEMBL3288668

SCHEMBL3288668

FC(F)(F)Oc1cccc(-c2ncccc2CNC(=S)Nc2cccc(Cl)c2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.46
KCNH2 Q12809 1/20 0.46
DGAT2 Q96PD7 3/20 0.45
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MGAT2 Q10469 1/20 0.40
HSD17B13 Q7Z5P4 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
MAPT P10636 1/20 0.37

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
SCHEMBL3290116 0.91 SCN2A (0.45) DGAT2ALDH1A1MEN1KMT2AHTT
SCHEMBL3296043 0.85 ALDH1A1 (0.51) DGAT2ALDH1A1MEN1KMT2AHTT
SCHEMBL3288429 0.83 HSD17B13 (0.45) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3288628 0.82 MEN1 (0.46) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3289928 0.81 ALDH1A1 (0.48) KCNA5ALDH1A1MEN1KMT2AHTT
SCHEMBL3288427 0.80 KMT2A (0.52) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3288483 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3290330 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3288675 0.78 KCNA5 (0.44) KCNA5KCNH2DGAT2HSD17B13SCN2A
SCHEMBL3290475 0.77 KMT2A (0.47) ALDH1A1MEN1KMT2AHTTNPSR1

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 333/4885DGAT2 4607/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 KCNA5 116/4885KCNH2 333/4885DGAT2 4607/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 KCNA5 116/4885KCNH2 333/4885DGAT2 4607/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 KCNA5 96/4885KCNH2 281/4885DGAT2 4589/4885

“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.