SCHEMBL3288442

SCHEMBL3288442

Cc1ccc(Oc2cccc(CN)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
BRCA1 P38398 1/20 0.48
HBB P68871 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LOXL2 Q9Y4K0 8/20 0.47
LOX P28300 6/20 0.46
MAPK1 P28482 1/20 0.43
MAOB P27338 2/20 0.42
F10 P00742 2/20 0.42
PPARG P37231 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL20381756 0.87 MAPK1 (0.47) KDM4EALDH1A1MEN1BRCA1HBB
SCHEMBL1011129 0.85 NR1H2 (0.46) KDM4EALDH1A1MEN1BRCA1HBB
SCHEMBL30657584 0.85 KDM4E (0.44) KDM4EALDH1A1MEN1BRCA1HBB
SCHEMBL1013370 0.85 KDM4E (0.44) KDM4EALDH1A1MEN1BRCA1HBB
SCHEMBL3287873 0.82 LOXL2 (0.47) KDM4EALDH1A1MEN1BRCA1HBB
SCHEMBL13183652 0.81 ALDH1A1 (0.51) KDM4EALDH1A1MEN1BRCA1HBB
SCHEMBL27233649 0.80 ALDH1A1 (0.43) KDM4EALDH1A1MEN1BRCA1HBB
SCHEMBL3288094 0.79 LOXL2 (0.61) LOXL2LOX
SCHEMBL16592108 0.79 MAPK1 (0.66) ALDH1A1KMT2ALOXL2LOXMAPK1
SCHEMBL20197023 0.78 KDM4E (0.69) KDM4EALDH1A1MEN1BRCA1HBB

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 3458/4885ALDH1A1 3041/4885MEN1 3637/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 KDM4E 3458/4885ALDH1A1 3041/4885MEN1 3637/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 KDM4E 3458/4885ALDH1A1 3041/4885MEN1 3637/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 KDM4E 3452/4885ALDH1A1 3045/4885MEN1 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.