Sugi Predict

Sugi Predict / Compounds / SCHEMBL3290254

SCHEMBL3290254

SCHEMBL3290254

O=C(NCc1cccnc1-c1ccsc1)N(S)c1cccc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 13/20 0.52
▸ RAB9A P51151 2/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL3291169 0.87 P2RX7 (0.42) P2RX7MAPK8
SCHEMBL3296053 0.83 P2RX7 (0.39) P2RX7
SCHEMBL3288632 0.82 P2RX7 (0.39) P2RX7MAPK8
SCHEMBL3290124 0.80 SCN2A (0.47) P2RX7MAPK8SMN1; SMN2
SCHEMBL3289950 0.80 MAPK8 (0.41) P2RX7RAB9AMAPK8SMN1; SMN2NPC1
SCHEMBL3288908 0.79 P2RX7 (0.39) P2RX7RAB9AMAPK8SMN1; SMN2NPC1
SCHEMBL3288675 0.78 KCNA5 (0.44) P2RX7MAPK8
SCHEMBL3287395 0.77 P2RX7 (0.38) P2RX7MAPK8
SCHEMBL3290480 0.77 P2RX7 (0.44) P2RX7
SCHEMBL3293408 0.77 NPC1 (0.42) P2RX7MAPK8CYP1A2CYP3A4CYP2C19

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 P2RX7 1/4885RAB9A 2726/4885MAPK8 3136/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 P2RX7 1/4885RAB9A 2726/4885MAPK8 3136/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 P2RX7 1/4885RAB9A 2726/4885MAPK8 3136/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 P2RX7 1/4885RAB9A 2680/4885MAPK8 3020/4885

“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.