SCHEMBL3294752

SCHEMBL3294752

NCc1cccc(Oc2ccccn2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 14/20 0.62
LOX P28300 11/20 0.60
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
MAP4K4 O95819 1/20 0.45
GRM5 P41594 1/20 0.45
MGLL Q99685 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43

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
SCHEMBL6202444 0.88 TAAR1 (0.53) LOXL2LOXTLR4TLR2MAP4K4
SCHEMBL1146160 0.85 LOXL2 (0.58) LOXL2LOX
SCHEMBL5024643 0.84 TLR4 (0.47) LOXL2LOXTLR4TLR2MAP4K4
SCHEMBL1747080 0.84 MGLL (0.47) LOXL2LOXTLR4TLR2MAP4K4
SCHEMBL27233574 0.84 TLR4 (0.47) LOXL2LOXTLR4TLR2MAP4K4
SCHEMBL29612417 0.82 TLR4 (0.56) LOXL2LOXTLR4TLR2MAP4K4
SCHEMBL12129555 0.82 TLR4 (0.56) LOXL2LOXTLR4TLR2MAP4K4
SCHEMBL3294597 0.81 LOXL2 (0.50) LOXL2LOXTLR4TLR2NOS1
SCHEMBL2563983 0.81 LOXL2 (0.55) LOXL2LOX
SCHEMBL5310795 0.81 TLR4 (0.51) LOXL2LOXTLR4TLR2MAP4K4

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 11 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
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO disclosed
WO-2005058298-A2 FK228 ANALOGS AND THEIR USE AS HDAC-INHIBITORS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-06-30 WO 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 LOXL2 2641/4885LOX 1880/4885TLR4 248/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 LOXL2 2641/4885LOX 1880/4885TLR4 248/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 LOXL2 2641/4885LOX 1880/4885TLR4 248/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 LOXL2 2623/4885LOX 1850/4885TLR4 270/4885

“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.