SCHEMBL3292437

SCHEMBL3292437

NCc1cc(F)ccc1Oc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.47
KDM4E B2RXH2 1/20 0.44
SLC1A5 Q15758 1/20 0.42
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
SYK P43405 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
CARM1 Q86X55 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GRM5 P41594 3/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RX4 Q99571 1/20 0.36
PDE5A O76074 1/20 0.36
PDE7A Q13946 1/20 0.36

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
SCHEMBL3291529 0.88 CD274 (0.45) CD274KDM4ESLC1A5SYKPDE4D
SCHEMBL8287033 0.84 KDM4E (0.51) CD274KDM4ESLC1A5LOXL2MEN1
SCHEMBL3288622 0.84 CD274 (0.46) CD274KDM4ESLC1A5PDE4DPDE4A
Hydrochloric Acid SCHEMBL3291564 0.83 KDM4E (0.50) CD274KDM4ESLC1A5LOXL2P2RX4
SCHEMBL5764883 0.80 TRPA1 (0.54) KDM4ESLC6A4L3MBTL1MEN1KMT2A
SCHEMBL28443118 0.77 GRM4 (0.48) KDM4ESLC6A4L3MBTL1KMT2AP2RX4
SCHEMBL3294343 0.75 CD274 (0.51) CD274KDM4ESLC1A5PDE4DPDE4A
SCHEMBL3288850 0.74 KDM4E (0.47) CD274KDM4ESYKPDE4DPDE4A
SCHEMBL3287580 0.73 SLC22A12 (0.44) KDM4EMEN1KMT2A
SCHEMBL11138427 0.73 KDM4E (0.66) KDM4ESLC1A5PDE4DPDE4APDE4B

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 10 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

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 CD274 3666/4885KDM4E 3458/4885SLC1A5 63/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 CD274 3666/4885KDM4E 3458/4885SLC1A5 63/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 CD274 3666/4885KDM4E 3458/4885SLC1A5 63/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CD274 3707/4885KDM4E 3452/4885SLC1A5 64/4885

“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.