Sugi Predict

Sugi Predict / Compounds / SCHEMBL309940

SCHEMBL309940

SCHEMBL309940

COc1cc(N2CCNCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.77
▸ LMNA P02545 1/20 0.77
▸ SIRT6 Q8N6T7 2/20 0.73
▸ MAPT P10636 9/20 0.64
▸ RECQL P46063 1/20 0.64
▸ POLB P06746 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ HTR6 P50406 7/20 0.55
▸ ADRB1 P08588 1/20 0.54
▸ HPGD P15428 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL30267551 1.00 ALDH1A1 (0.77) ALDH1A1LMNASIRT6MAPTRECQL
SCHEMBL2202741 0.95 ALDH1A1 (0.78) ALDH1A1LMNASIRT6MAPTRECQL
Trifluoroacetic Acid SCHEMBL20490699 0.89 ALDH1A1 (0.62) ALDH1A1LMNASIRT6MAPTRECQL
SCHEMBL11303513 0.89 MAPT (0.60) ALDH1A1LMNASIRT6MAPTRECQL
SCHEMBL17411232 0.89 ALDH1A1 (0.68) ALDH1A1LMNASIRT6MAPTRECQL
SCHEMBL310079 0.88 ALDH1A1 (0.64) ALDH1A1LMNASIRT6MAPTRECQL
SCHEMBL310115 0.87 ALDH1A1 (0.67) ALDH1A1LMNASIRT6MAPTRECQL
SCHEMBL29788578 0.87 ALDH1A1 (1.00) ALDH1A1LMNASIRT6MAPTSMN1; SMN2
SCHEMBL6367942 0.87 ALDH1A1 (1.00) ALDH1A1LMNASIRT6MAPTSMN1; SMN2
SCHEMBL2205195 0.86 ALDH1A1 (0.97) ALDH1A1LMNASIRT6MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590070-B2 Adamantane derivatives as inhibitors of focal adhesion kinase SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2026-03-31 — — US disclosed
EP-4074697-B1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE SAMJIN PHARM CO LTD (KR) 2025-05-21 — — EP disclosed
US-20250136576-A1 Heterocyclic Compounds and Uses Thereof ACEA Therapeutics, Inc. (US) 2025-05-01 — — US disclosed
CN-119306668-A Benzimidazole compound, and preparation method and application thereof 中国医学科学院药物研究所 2025-01-14 — — CN disclosed
EP-4402127-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE UCL Business Ltd (GB) 2024-07-24 — — EP disclosed
CN-118159533-A Heterocyclic compounds and their use 艾森医药有限公司 2024-06-07 — — CN disclosed
EP-4370212-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2024-05-22 — — EP disclosed
US-20240132492-A1 PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF JINAN UNIVERSITY (CN) 2024-04-25 — — US disclosed
CN-115348963-B Pyridopyrimidine compound and application thereof 暨南大学 2024-04-19 — — CN disclosed
CN-114929675-B Adamantane derivatives as focal adhesion kinase inhibitors 三进制药株式会社 2024-02-13 — — CN disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 — — WO disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 — — EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
US-4977166-A ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS RHONE-POULENC SANTE (FR) 1990-12-11 — — 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 (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-20240132492-A1 PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF AKT3, AKT1S1, AKT2 ALDH1A1 2469/4885LMNA 4085/4885SIRT6 1044/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885LMNA 2828/4885SIRT6 1497/4885
US-20250136576-A1 Heterocyclic Compounds and Uses Thereof CHEK2, CDK2, CDK1 ALDH1A1 1877/4885LMNA 1848/4885SIRT6 2275/4885
US-12590070-B2 Adamantane derivatives as inhibitors of focal adhesion kinase PTK2, CTTN, ADGRF1 ALDH1A1 1097/4885LMNA 1512/4885SIRT6 3807/4885

“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.