SCHEMBL3288622

SCHEMBL3288622

NCc1cc(F)c(F)cc1Oc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.46
KDM4E B2RXH2 1/20 0.42
LOXL2 Q9Y4K0 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC1A5 Q15758 1/20 0.38
LOX P28300 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HRH1 P35367 1/20 0.35
P2RX4 Q99571 1/20 0.35
FFAR1 O14842 1/20 0.34
BACE1 P56817 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL3292437 0.84 CD274 (0.47) CD274KDM4ELOXL2MEN1KMT2A
SCHEMBL3291529 0.84 CD274 (0.45) CD274KDM4ELOXL2MEN1KMT2A
SCHEMBL8287033 0.79 KDM4E (0.51) CD274KDM4ELOXL2MEN1KMT2A
Hydrochloric Acid SCHEMBL3291564 0.78 KDM4E (0.50) CD274KDM4ELOXL2SLC1A5LOX
SCHEMBL3288399 0.76 KDM4E (0.45) CD274KDM4EMEN1KMT2APDE4A
SCHEMBL18984674 0.73 MEN1 (0.59) CD274KDM4EMEN1KMT2AALDH1A1
SCHEMBL3294343 0.73 CD274 (0.51) CD274KDM4ELOXL2MEN1KMT2A
SCHEMBL3290655 0.73 KDM4E (0.42) CD274KDM4EMEN1KMT2AALDH1A1
SCHEMBL24741603 0.72 MEN1 (0.54) CD274KDM4EMEN1KMT2APDE4A
SCHEMBL30108336 0.72 MEN1 (0.54) CD274KDM4EMEN1KMT2APDE4A

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 3458/4885LOXL2 2641/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 CD274 3666/4885KDM4E 3458/4885LOXL2 2641/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 CD274 3666/4885KDM4E 3458/4885LOXL2 2641/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CD274 3707/4885KDM4E 3452/4885LOXL2 2623/4885

“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.