Sugi Predict

Sugi Predict / Compounds / SCHEMBL29154

SCHEMBL29154

SCHEMBL29154

Nc1nccc(OCC(F)(F)F)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 5/20 0.69
▸ HRH4 Q9H3N8 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ G6PD P11413 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ ALOX5AP P20292 3/20 0.40
▸ FEN1 P39748 3/20 0.40

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
SCHEMBL29625490 1.00 NUDT1 (0.69) NUDT1HRH4ALDH1A1MAPTL3MBTL1
SCHEMBL27458139 0.82 NUDT1 (0.56) NUDT1HRH4ALOX5APFEN1KDR
SCHEMBL18072493 0.81 NUDT1 (1.00) NUDT1HRH4HSP90AA1
SCHEMBL31403776 0.81 NUDT1 (1.00) NUDT1HRH4HSP90AA1
SCHEMBL3966140 0.79 NUDT1 (0.43) NUDT1ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL28259128 0.79 NUDT1 (0.43) NUDT1ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL2392582 0.79 NUDT1 (0.53) NUDT1HRH4ALDH1A1MAPTL3MBTL1
SCHEMBL30361286 0.78 NUDT1 (0.46) NUDT1L3MBTL1MEN1KMT2APIM1
SCHEMBL14897410 0.78 NUDT1 (0.46) NUDT1L3MBTL1MEN1KMT2APIM1
Hydrochloric Acid SCHEMBL30939162 0.77 NUDT1 (0.42) NUDT1ALDH1A1MAPTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022100623-A1 NITROGEN-SUBSTITUTED HETEROCYCLIC THIOPHENE COMPOUNDS AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-19 — — WO disclosed
WO-2022100623-A1 NITROGEN-SUBSTITUTED HETEROCYCLIC THIOPHENE COMPOUNDS AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-19 — — WO disclosed
CN-114456159-A Nitrogen-substituted heterocyclic thiophene compound and application thereof 武汉人福创新药物研发中心有限公司 2022-05-10 — — CN disclosed
CN-108912056-B Benzoyl pyrimidine urea compound and preparation and application thereof 海南大学 2021-06-15 — — CN disclosed
EP-3174886-B1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-02-17 — — EP disclosed
CN-106661043-B 2-oxa-5-azabicyclo [2.2.1] hept-3-yl derivatives 豪夫迈·罗氏有限公司 2020-01-17 — — CN disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
WO-2016015333-A1 2-OXA-5-AZABICYCLO [2.2.1] HEPTAN-3-YL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2016-02-04 — — WO disclosed
CN-104394869-A Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-04 — — CN disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 — — WO disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 — — WO disclosed
EP-2768509-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2014-08-27 — — EP disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 — — WO disclosed
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 — — 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 (2 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-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NUDT1 568/4885HRH4 3580/4885ALDH1A1 1480/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NUDT1 568/4885HRH4 3580/4885ALDH1A1 1480/4885

“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.