SCHEMBL3288372

SCHEMBL3288372

COc1ccccc1-c1nc(C(F)(F)F)ccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.55
PGR P06401 1/20 0.55
ALDH1A1 P00352 5/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
HPGD P15428 4/20 0.43
HTT P42858 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
STAT3 P40763 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 1/20 0.42
ALPL P05186 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 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
SCHEMBL2527951 0.80 CHUK (0.44) ARPGRALDH1A1ADORA2AADORA1
SCHEMBL2527074 0.77 AR (0.46) ARPGRALDH1A1HPGDHTT
SCHEMBL2528551 0.75 ADORA1 (0.47) ARALDH1A1ADORA2AADORA1HPGD
SCHEMBL2528908 0.75 PGR (0.56) ARPGRALDH1A1ADORA2AADORA1
SCHEMBL2530039 0.74 AR (0.48) ARPGRALDH1A1ADORA2AADORA1
SCHEMBL2530653 0.73 KDM4E (0.50) ARPGRALDH1A1KDM4EGAA
SCHEMBL3293427 0.73 ALDH1A1 (0.47) ARPGRALDH1A1ADORA2AADORA1
SCHEMBL2523185 0.71 MEN1 (0.42) ALDH1A1ADORA2AADORA1HPGDKDM4E
SCHEMBL30546007 0.70 USP8 (0.43) ARALDH1A1HPGDHTTKDM4E
SCHEMBL29043026 0.70 USP8 (0.43) ARALDH1A1HPGDHTTKDM4E

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 AR 1536/4885PGR 1484/4885ALDH1A1 3041/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 AR 1536/4885PGR 1484/4885ALDH1A1 3041/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 AR 1536/4885PGR 1484/4885ALDH1A1 3041/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 AR 1644/4885PGR 1506/4885ALDH1A1 3045/4885

“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.