SCHEMBL3288760

SCHEMBL3288760

O=C(Nc1cccc(Cl)c1Cl)N(S)Cc1cccnc1N1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
P2RX7 Q99572 4/20 0.46
SCN2A Q99250 2/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
KCNQ2 O43526 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
CNR2 P34972 2/20 0.38
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL3288662 0.97 P2RX7 (0.46) MEN1KMT2AP2RX7GAARAB9A
SCHEMBL3533104 0.84 TRPA1 (0.43) MEN1KMT2ACNR2
SCHEMBL3287581 0.82 MEN1 (0.43) MEN1KMT2AGAAKCNQ2RAB9A
SCHEMBL3292860 0.82 MEN1 (0.39) MEN1KMT2AP2RX7TP53LMNA
SCHEMBL3288758 0.78 P2RX7 (0.53) MEN1KMT2AP2RX7SCN2ASCN10A
SCHEMBL3287418 0.78 DPP4 (0.46) MEN1KMT2AGAARAB9ALMNA
SCHEMBL3290531 0.76 P2RX7 (0.54) MEN1KMT2AP2RX7SCN2ASCN10A
SCHEMBL3290536 0.75 P2RX7 (0.51) P2RX7SCN2ASCN10ALMNATHRB
SCHEMBL3288655 0.74 P2RX7 (0.54) MEN1KMT2AP2RX7SCN2ASCN10A
SCHEMBL3287221 0.74 RBP4 (0.40) MEN1KMT2ACNR2

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 MEN1 3637/4885KMT2A 3615/4885P2RX7 1/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 MEN1 3637/4885KMT2A 3615/4885P2RX7 1/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 MEN1 3637/4885KMT2A 3615/4885P2RX7 1/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 MEN1 3688/4885KMT2A 3536/4885P2RX7 1/4885

“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.