Sugi Predict

Sugi Predict / Compounds / SCHEMBL452264

SCHEMBL452264

SCHEMBL452264

CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ KDM4E B2RXH2 1/20 0.72
▸ POLB P06746 1/20 0.72
▸ GRN P28799 3/20 0.62
▸ SORT1 Q99523 3/20 0.62
▸ CA2 P00918 3/20 0.53
▸ CA1 P00915 3/20 0.53
▸ ICMT O60725 1/20 0.52
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ FOLH1 Q04609 1/20 0.45
▸ BCL2L1 Q07817 1/20 0.45

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
SCHEMBL452263 1.00 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL735245 1.00 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL7124555 0.89 KMT2A (0.58) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL457080 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL455428 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL455429 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL8964493 0.86 TAS1R3 (0.65) ALDH1A1KMT2AKDM4EPOLBGAA
SCHEMBL8964497 0.86 TAS1R3 (0.65) ALDH1A1KMT2AKDM4EPOLBGAA
SCHEMBL16684621 0.86 ALDH1A1 (0.64) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL28060524 0.85 ICMT (0.56) ALDH1A1KMT2AKDM4EPOLBCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812783-A Solution polymerized styrene butadiene rubber polymer modified by siloxane initiated by lithium diamide compound and preparation method thereof 新疆独山子石油化工有限公司 2024-10-22 — — CN claimed
CN-118743023-A Ultra low leakage diode for low input bias current 德克萨斯仪器股份有限公司 2024-10-01 — — CN claimed
CN-105642261-A Chiral stationary phase prepared with cinchonine-Boc-amide as chiral selector and preparation method and application thereof 河南科技学院 2016-06-08 — — CN claimed
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 — — EP claimed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 — — WO claimed
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 — — US claimed
US-20050118409-A1 Chelator-modified inorganic oxide particles NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-02 — — US claimed
WO-2005037397-A1 CHELATOR-MODIFIED INORGANIC OXIDE PARTICLES ZIRCHROM SEPARATIONS, INC. (US) 2005-04-28 — — WO claimed
EP-0532664-B1 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS RES CORP TECHNOLOGIES INC (US) 1996-02-14 — — EP claimed
US-5422004-A Monocyclic or polycyclic aromatic amide moiety; increased enantioselectivity RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-06-06 — — US claimed
WO-1994000408-A1 HIGH PERFORMANCE CHIRAL SELECTOR RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-01-06 — — WO claimed
WO-1993022272-A1 RECOGNITION AND SEPARATION OF CARBON CLUSTERS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-11-11 — — WO claimed
US-20260001924-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME NEW YORK UNIVERSITY (US) 2026-01-01 — — US disclosed
US-12371461-B2 Nemo coiled coil mimics and methods of using same NEW YORK UNIVERSITY (US) 2025-07-29 — — US disclosed
EP-3303367-B1 STABILIZED MINIMAL COILED-COIL MIMETICS UNIV NEW YORK (US) 2025-06-18 — — EP disclosed
US-20250104766-A1 TIMING CONTROL CIRCUIT OF MEMORY DEVICE WITH TRACKING WORD LINE AND TRACKING BIT LINE TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2025-03-27 — — US disclosed
US-5080795-A Resolution of racemates, complexing of chiral carrier and the enantiomorph in semipermeable barrier membrane RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-01-14 — — US disclosed
EP-0464488-A2 Optically active N-alpha-fluoroacryloyl-aminoacid derivatives, their preparation, optically active polymers prepared therefrom and their use for the separation of racemates BAYER AG (DE) 1992-01-08 — — EP disclosed
WO-1991017816-A1 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-11-28 — — WO disclosed
US-4913812-A GLYCIDYL VINYL(ETHER OR ESTER)COPOLYMER BONDED TO LIGAND SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-04-03 — — US 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-12371461-B2 Nemo coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH ALDH1A1 3890/4885KMT2A 4091/4885KDM4E 4761/4885
US-20260001924-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME DDX21, PHAX, RBX1 ALDH1A1 4748/4885KMT2A 2849/4885KDM4E 3531/4885

“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.