SCHEMBL3290485

SCHEMBL3290485

Cc1cc(C#N)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
GAA P10253 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
MAPT P10636 7/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
MCL1 Q07820 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS2 P35354 1/20 0.43
LMNA P02545 3/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL11787590 0.83 POLB (0.55) POLBGAASMN1; SMN2HPGDMEN1
SCHEMBL14665795 0.83 MAPT (0.53) GAASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL3292686 0.81 LMNA (0.60) POLBGAASMN1; SMN2HPGDMEN1
SCHEMBL29863867 0.80 ALDH1A1 (0.41) POLBSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL18865993 0.80 ALDH1A1 (0.41) POLBHPGDMEN1KMT2AKDM4E
SCHEMBL31420390 0.78 GAA (0.54) POLBGAASMN1; SMN2HPGDMEN1
SCHEMBL10707004 0.77 POLB (0.60) POLBGAASMN1; SMN2HPGDMEN1
SCHEMBL12770967 0.77 POLB (0.64) POLBGAASMN1; SMN2HPGDMEN1
SCHEMBL31420342 0.75 ALDH1A1 (0.50) GAASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL13172139 0.75 NR1I2 (0.43) POLBSMN1; SMN2HPGDMEN1KMT2A

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 POLB 3723/4885GAA 2556/4885SMN1; SMN2 3761/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 POLB 3723/4885GAA 2556/4885SMN1; SMN2 3761/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 POLB 3723/4885GAA 2556/4885SMN1; SMN2 3761/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 POLB 3729/4885GAA 2529/4885SMN1; SMN2 3742/4885

“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.