Sugi Predict

Sugi Predict / Compounds / SCHEMBL9980800

SCHEMBL9980800

SCHEMBL9980800

CC(C)(C)OC(=O)Nc1ccc(CCl)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ GRIN2B Q13224 1/20 0.44
▸ CYP17A1 P05093 1/20 0.44
▸ MAPKAPK2 P49137 2/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ ATR Q13535 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ BCL2 P10415 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ STK17B O94768 1/20 0.38

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
SCHEMBL15354526 0.87 NAMPT (0.50) NAMPTHDAC1GRIN2BCYP17A1MAPKAPK2
SCHEMBL540536 0.87 NAMPT (0.50) NAMPTHDAC1GRIN2BCYP17A1MAPKAPK2
SCHEMBL29523504 0.86 HDAC1 (0.52) NAMPTHDAC1GRIN2BCYP17A1MAPKAPK2
SCHEMBL21394710 0.86 NAMPT (0.49) NAMPTHDAC1GRIN2BCYP17A1MAPKAPK2
SCHEMBL540467 0.86 NAMPT (0.49) NAMPTHDAC1GRIN2BCYP17A1MAPKAPK2
SCHEMBL10087556 0.86 NAMPT (0.49) NAMPTHDAC1GRIN2BCYP17A1MAPKAPK2
SCHEMBL164105 0.86 HDAC1 (0.52) NAMPTHDAC1GRIN2BCYP17A1MAPKAPK2
SCHEMBL1126265 0.84 NAMPT (0.48) NAMPTHDAC1GRIN2BCYP17A1MAPKAPK2
SCHEMBL949620 0.84 NAMPT (0.48) NAMPTHDAC1GRIN2BCYP17A1MAPKAPK2
SCHEMBL13456709 0.84 NAMPT (0.53) NAMPTHDAC1GRIN2BCYP17A1MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 — — US disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 — — US disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 — — WO disclosed
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 — — EP 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
US-9834527-B2 Macrocyclic urea derivatives as inhibitors of TAFIa, their preparation and their use as pharmaceuticals SANOFI (FR) 2017-12-05 — — US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 — — US disclosed
EP-3027611-B1 MACROCYCLIC UREA DERIVATIVES AS INHIBITORS OF TAFI A, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-07-26 — — EP disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP 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
EP-2344475-B1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 — — EP disclosed
EP-2344475-B1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 — — EP disclosed
WO-2014109414-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF 富士フイルム株式会社 (JP) 2014-07-17 — — WO disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 — — WO disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 — — WO disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 — — 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 (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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 NAMPT 3838/4885HDAC1 2535/4885GRIN2B 41/4885
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 NAMPT 106/4885HDAC1 117/4885GRIN2B 3776/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 NAMPT 3838/4885HDAC1 2535/4885GRIN2B 41/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NAMPT 44/4885HDAC1 10/4885GRIN2B 3530/4885

“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.