SCHEMBL1437091

SCHEMBL1437091

CSc1nccc(OCC(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
NUDT1 P36639 1/20 0.42
SCN9A Q15858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
DYRK3 O43781 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
KMT2A Q03164 3/20 0.33
THRB P10828 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL24725107 0.79 GAA (0.46) GAAHTTNUDT1SCN9AL3MBTL1
SCHEMBL2410520 0.79 GAA (0.48) GAAHTTNUDT1L3MBTL1LMNA
SCHEMBL14897410 0.77 NUDT1 (0.46) NUDT1L3MBTL1LMNASMN1; SMN2KMT2A
SCHEMBL30361286 0.77 NUDT1 (0.46) NUDT1L3MBTL1LMNASMN1; SMN2KMT2A
SCHEMBL28259128 0.75 NUDT1 (0.43) NUDT1L3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL3966140 0.75 NUDT1 (0.43) NUDT1L3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL2669892 0.74 GAA (0.50) GAAHTTNUDT1LMNASMN1; SMN2
SCHEMBL14857458 0.74 KMT2A (0.41) GAAHTTSCN9AL3MBTL1SMN1; SMN2
SCHEMBL29154 0.74 NUDT1 (0.69) NUDT1L3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL29625490 0.74 NUDT1 (0.69) NUDT1L3MBTL1SMN1; SMN2ALDH1A1MAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
EP-2473511-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS Dow AgroSciences LLC (US) 2012-07-11 EP disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed
EP-0749427-B1 PYRIMIDINE FUNGICIDES ZENECA LTD (GB) 1998-07-29 EP disclosed
US-5723471-A Pyrimidine fungicides ZENECA LIMITED (GB) 1998-03-03 US disclosed
EP-0749427-A1 PYRIMIDINE FUNGICIDES ZENECA LIMITED (GB) 1996-12-27 EP disclosed
WO-1995024396-A1 PYRIMIDINE FUNGICIDES ZENECA LIMITED (GB) 1995-09-14 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 (3 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG GAA 684/4885HTT 3347/4885NUDT1 2349/4885
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS CBR3, CBR1, AKR1C4 GAA 3404/4885HTT 2437/4885NUDT1 456/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO GAA 2332/4885HTT 1265/4885NUDT1 217/4885

“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.