Sugi Predict

Sugi Predict / Compounds / SCHEMBL14925264

SCHEMBL14925264

SCHEMBL14925264

O=C(NCCN1CCOCC1)c1ccc(B(O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 8/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ HTR1A P08908 1/20 0.71
▸ MAOA P21397 1/20 0.71
▸ MAOB P27338 1/20 0.71
▸ KCNH2 Q12809 1/20 0.71
▸ HPGD P15428 1/20 0.68
▸ POLB P06746 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ EPHX2 P34913 3/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ TSHR P16473 1/20 0.61

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
SCHEMBL16599437 0.87 ALDH1A1 (0.68) CD274ALDH1A1HTR1AMAOAMAOB
Hydrochloric Acid SCHEMBL16600469 0.86 ALDH1A1 (0.70) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL16599522 0.86 CYP1A2 (0.70) CD274ALDH1A1HTR1AMAOAMAOB
Hydrochloric Acid SCHEMBL29956952 0.85 ALDH1A1 (0.68) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL1366895 0.85 CYP2C19 (0.66) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL4488493 0.85 CD274 (0.77) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL6569882 0.85 CD274 (0.77) CD274ALDH1A1HTR1AMAOAMAOB
Hydrochloric Acid SCHEMBL16599364 0.84 CYP2C19 (0.65) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL280240 0.83 MEN1 (0.76) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL3543817 0.83 CD274 (0.92) CD274ALDH1A1HTR1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4493182-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR Huyabio International, LLC (US) 2025-01-22 — — EP disclosed
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 — — US disclosed
WO-2023177593-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC (US) 2023-09-21 — — WO disclosed
US-20230286925-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 — — US disclosed
CN-110172051-B IRE-1 alpha inhibitors 复星弘创(苏州)医药科技有限公司 2023-03-07 — — CN disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 — — US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 — — US disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 — — US disclosed
WO-2017072062-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII F. HOFFMANN-LA ROCHE AG (CH) 2017-05-04 — — WO disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 — — US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — 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 (6 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-20150141424-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 CD274 3415/4885ALDH1A1 2024/4885HTR1A 4397/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 CD274 2865/4885ALDH1A1 1815/4885HTR1A 4414/4885
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 CD274 2565/4885ALDH1A1 4290/4885HTR1A 4497/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 CD274 2565/4885ALDH1A1 4290/4885HTR1A 4497/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 CD274 3529/4885ALDH1A1 2036/4885HTR1A 4339/4885
US-20230286925-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR WDR5, MLLT1, WDR1 CD274 3755/4885ALDH1A1 3209/4885HTR1A 3817/4885

“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.