SCHEMBL378458

SCHEMBL378458

O=[N+]([O-])c1ccc(N2CCCC2)cc1

nearest known ligand 0.96

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.96
LMNA P02545 2/20 0.72
ALDH1A1 P00352 4/20 0.70
SIRT6 Q8N6T7 2/20 0.70
POLB P06746 1/20 0.70
ADRB1 P08588 1/20 0.70
CTSL P07711 1/20 0.61
CTSB P07858 1/20 0.61
GAA P10253 1/20 0.58
AKR1C3 P42330 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL6607374 0.98 MAPT (1.00) MAPTLMNAALDH1A1SIRT6POLB
SCHEMBL223626 0.98 MAPT (1.00) MAPTLMNAALDH1A1SIRT6POLB
SCHEMBL85552 0.98 MAPT (1.00) MAPTLMNAALDH1A1SIRT6POLB
SCHEMBL1851861 0.96 MAPT (0.89) MAPTLMNAALDH1A1SIRT6POLB
SCHEMBL7048817 0.94 MAPT (0.85) MAPTLMNAALDH1A1SIRT6POLB
SCHEMBL6151230 0.91 SIRT6 (0.81) MAPTLMNAALDH1A1SIRT6POLB
SCHEMBL15271381 0.91 SIRT6 (0.81) MAPTLMNAALDH1A1SIRT6POLB
SCHEMBL9651198 0.89 MAPT (0.77) MAPTLMNAALDH1A1SIRT6POLB
SCHEMBL9649952 0.88 MAPT (0.81) MAPTLMNAALDH1A1SIRT6POLB
SCHEMBL14504224 0.87 MAPT (0.78) MAPTLMNAALDH1A1SIRT6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US claimed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO claimed
US-12559495-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2026-02-24 US disclosed
CN-115215816-B Synthesis method of lactam compound 普济生物科技(台州)有限公司 2024-02-02 CN disclosed
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 CN disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-11555037-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-17 US disclosed
CN-115215816-A Synthesis method of lactam compound 普济生物科技(台州)有限公司 2022-10-21 CN disclosed
WO-2022218348-A1 METHOD FOR SYNTHESIZING LACTAM COMPOUNDS Seasons Biotechnology (Taizhou) Co., Ltd. (CN) 2022-10-20 WO disclosed
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 WO disclosed
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 WO disclosed
EP-0891765-B1 Oxidative hair dye compositions P & G CLAIROL INC (US) 2004-06-16 EP disclosed
US-20040074013-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in positions 3 and 4, and dyeing method using same L'OREAL S.A. (FR) 2004-04-22 US disclosed
US-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-11-13 US disclosed
EP-1341510-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2003-09-10 EP disclosed
WO-2002045671-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2002-06-13 WO disclosed
EP-0891765-A2 Oxidative hair dye compositions Bristol-Myers Squibb Company (US) 1999-01-20 EP disclosed
US-5851237-A Oxidative hair dye compositions and methods containing 1--(4-aminophenyl) pyrrolidines NOXELL CORPORATION 1998-12-22 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-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885LMNA 1397/4885ALDH1A1 404/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 MAPT 4782/4885LMNA 2103/4885ALDH1A1 1754/4885
US-20040074013-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in positions 3 and 4, and dyeing method using same KRT18, PYCR1, COX5A MAPT 837/4885LMNA 1932/4885ALDH1A1 203/4885
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 MAPT 3456/4885LMNA 2308/4885ALDH1A1 1225/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 MAPT 4782/4885LMNA 2103/4885ALDH1A1 1754/4885
US-12559495-B2 Purine diones as Wnt pathway modulators WNT1, CTNND1, WNT3A MAPT 4457/4885LMNA 1338/4885ALDH1A1 1125/4885

“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.