SCHEMBL3290334

SCHEMBL3290334

Fc1c(N=C=S)cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ADRA2C P18825 1/20 0.43
MAOA P21397 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
CCR2 P41597 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MIF P14174 4/20 0.37
MPL P40238 3/20 0.34
APLNR P35414 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
SCHEMBL29717622 1.00 ALDH1A1 (0.43) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL29401465 0.82 ALDH1A1 (0.47) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL1021664 0.82 ALDH1A1 (0.47) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL7062055 0.81 ALDH1A1 (0.47) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL8484421 0.81 ALDH1A1 (0.43) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL59215 0.81 CYP3A4 (0.47) CYP3A4MPLIDO1TDO2NOTUM
SCHEMBL29648824 0.81 CYP3A4 (0.47) CYP3A4MPLIDO1TDO2NOTUM
SCHEMBL11714707 0.80 ALDH1A1 (0.55) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL3287925 0.77 ABCB11 (0.40) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL28270303 0.77 ALDH1A1 (0.40) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420772-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2019-09-24 US disclosed
EP-3464312-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS Celgene Corporation (US) 2019-04-10 EP disclosed
CN-109476696-A Anti-trypanosome and anti-leishmania agents for animals and humans 细胞基因公司 2019-03-15 CN disclosed
US-20180280399-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORP (US) 2018-10-04 US disclosed
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2018-07-03 US disclosed
WO-2017210408-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION (US) 2017-12-07 WO disclosed
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION 2017-12-07 US disclosed
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 (8 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-20180280399-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC ALDH1A1 749/4885ABCB11 287/4885NR3C1 4031/4885
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC ALDH1A1 749/4885ABCB11 287/4885NR3C1 4031/4885
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 ALDH1A1 3041/4885ABCB11 340/4885NR3C1 1207/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 ALDH1A1 3041/4885ABCB11 340/4885NR3C1 1207/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 ALDH1A1 3041/4885ABCB11 340/4885NR3C1 1207/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 ALDH1A1 3045/4885ABCB11 371/4885NR3C1 1282/4885
US-10420772-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC ALDH1A1 749/4885ABCB11 287/4885NR3C1 4031/4885
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC ALDH1A1 749/4885ABCB11 287/4885NR3C1 4031/4885

“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.