Sugi Predict

Sugi Predict / Compounds / SCHEMBL540536

SCHEMBL540536

SCHEMBL540536

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ GRIN2B Q13224 1/20 0.45
▸ CYP17A1 P05093 1/20 0.45
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ LCK P06239 1/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ MAPKAPK2 P49137 1/20 0.40
▸ BCL2 P10415 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DEGS1 O15121 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ NCOR2 Q9Y618 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
SCHEMBL1126265 0.97 NAMPT (0.48) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL15354526 0.88 NAMPT (0.50) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL10087556 0.87 NAMPT (0.49) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL164105 0.87 HDAC1 (0.52) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL21394710 0.87 NAMPT (0.49) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL29523504 0.87 HDAC1 (0.52) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL9980800 0.87 NAMPT (0.49) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL540467 0.87 NAMPT (0.49) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL13456709 0.86 NAMPT (0.53) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL27947682 0.86 NAMPT (0.48) NAMPTHDAC1GRIN2BCYP17A1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4053108-B1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) 2026-03-11 — — EP disclosed
US-20260055063-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) 2026-02-26 — — US disclosed
US-12503444-B2 Compound containing benzene ring and application thereof WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2025-12-23 — — US disclosed
EP-4630424-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS Third Harmonic Bio, Inc. (US) 2025-10-15 — — EP disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 — — US disclosed
WO-2024124002-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 — — WO disclosed
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 — — US disclosed
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-06-15 — — US disclosed
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-06-15 — — US disclosed
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-06-15 — — US disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 — — US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 — — US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 — — US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 — — US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 — — US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 — — US disclosed
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 — — EP disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 — — WO disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 — — US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 — — EP 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 (5 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-20260055063-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF CNR2, RYR2, CNR1 NAMPT 4645/4885HDAC1 1758/4885GRIN2B 295/4885
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 NAMPT 145/4885HDAC1 1890/4885GRIN2B 4350/4885
US-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 NAMPT 3838/4885HDAC1 2535/4885GRIN2B 41/4885
US-12503444-B2 Compound containing benzene ring and application thereof P2RX4, P2RX7, P2RX2 NAMPT 578/4885HDAC1 3892/4885GRIN2B 1839/4885
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF P2RX4, P2RX7, P2RX2 NAMPT 578/4885HDAC1 3892/4885GRIN2B 1839/4885

“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.