SCHEMBL3288399

SCHEMBL3288399

Fc1cc(Br)c(Oc2ccccn2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
CD274 Q9NZQ7 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 1/20 0.34
SCD O00767 1/20 0.34
BACE1 P56817 1/20 0.34
GRM4 Q14833 2/20 0.33
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CCR1 P32246 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
SCHEMBL3288850 0.82 KDM4E (0.47) KDM4ECD274MEN1KMT2APDE4A
SCHEMBL2427966 0.79 POLB (0.46) KDM4ECD274MEN1KMT2APDE4A
SCHEMBL1680955 0.77 KDM4E (0.56) KDM4EMEN1KMT2AGRM4LMNA
SCHEMBL18984674 0.77 MEN1 (0.59) KDM4ECD274MEN1KMT2ALMNA
SCHEMBL30811087 0.77 KDM4E (0.56) KDM4EMEN1KMT2AGRM4LMNA
SCHEMBL22123109 0.77 KDM4E (0.45) KDM4ECD274MEN1KMT2APDE4A
SCHEMBL30168191 0.77 KDM4E (0.45) KDM4ECD274MEN1KMT2APDE4A
SCHEMBL3288622 0.76 CD274 (0.46) KDM4ECD274MEN1KMT2APDE4A
SCHEMBL3290655 0.76 KDM4E (0.42) KDM4ECD274MEN1KMT2AGRM4
SCHEMBL31527918 0.75 EGFR (0.45) KDM4EFFAR4BACE1TLR4TLR2

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 KDM4E 3458/4885CD274 3666/4885MEN1 3637/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 KDM4E 3458/4885CD274 3666/4885MEN1 3637/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 KDM4E 3458/4885CD274 3666/4885MEN1 3637/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 KDM4E 3452/4885CD274 3707/4885MEN1 3688/4885

“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.