SCHEMBL365580

SCHEMBL365580

CC(=O)c1cccnc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
NAPRT Q6XQN6 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RX7 Q99572 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MYC P01106 1/20 0.40

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
SCHEMBL30320721 1.00 KDM4E (0.45) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL29694512 0.82 KDM4E (0.45) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL932828 0.81 KDM4E (0.63) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL29442955 0.81 KDM4E (0.63) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL24631374 0.79 LMNA (0.47) KDM4EALDH1A1TDP1MAPTL3MBTL1
SCHEMBL30748245 0.79 LMNA (0.47) KDM4EALDH1A1TDP1MAPTL3MBTL1
SCHEMBL5700478 0.79 TRIM24 (0.39) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL1972194 0.79 SMN1; SMN2 (0.47) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL1379678 0.79 PARP1 (0.56) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL30040285 0.79 PARP1 (0.56) KDM4EALDH1A1TDP1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107098353-A A kind of colored thorn-like silica spheres and preparation method thereof 温州大学 2017-08-29 CN claimed
JP-4066291-A None JP disclosed
US-12509423-B2 Compound, aldehyde dehydrogenase 2 activating agent, pharmaceutical composition, and therapeutic and/or prophylactic drug ALCHEMEDICINE, INC. (JP) 2025-12-30 US disclosed
US-20250049812-A1 Compounds that Inhibit Necroptosis and Their Preparation Methods SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) 2025-02-13 US disclosed
EP-4403557-A1 COMPOUND THAT INHIBITS PROGRAMMED CELL NECROSIS, AND PREPARATION METHOD THEREFOR Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2024-07-24 EP disclosed
US-20240109914-A1 IMIDAZOTHIAZOLE COMPOUNDS AND ANALOGS THEREOF AND METHODS FOR TREATING NEMATODE INFECTIONS IN PLANTS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-04-04 US disclosed
US-20230295091-A1 Compound, Aldehyde Dehydrogenase 2 Activating Agent, Pharmaceutical Composition, and Therapeutic and/or Prophylactic Drug ALCHEMEDICINE, INC. (JP) 2023-09-21 US disclosed
EP-4238964-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND TREATMENT AND/OR PREVENTATIVE DRUG Alchemedicine, Inc. (JP) 2023-09-06 EP disclosed
CN-116348449-A Compounds, acetaldehyde dehydrogenase 2 activators, pharmaceutical compositions, and therapeutic and/or prophylactic agents 亚克医药株式会社 2023-06-27 CN disclosed
WO-2023040818-A1 COMPOUND THAT INHIBITS PROGRAMMED CELL NECROSIS, AND PREPARATION METHOD THEREFOR 中国科学院上海有机化学研究所 2023-03-23 WO disclosed
US-8592629-B2 Sulfonamide derivatives as Nav 1.7 inhibitors PFIZER LIMITED (GB) 2013-11-26 US disclosed
EP-2593432-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-22 EP disclosed
WO-2013014060-A1 SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 WO disclosed
US-20130029949-A1 Substituted Quinolines and Their Use As Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029949-A1 Substituted Quinolines and Their Use As Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029949-A1 Substituted Quinolines and Their Use As Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
WO-2013014060-A1 SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 WO disclosed
WO-2012007861-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
JP-H0466291-A CREAM SOLDER FOR PRINTING UCHIHASHI ESTEC CO LTD 1992-03-02 JP 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-12509423-B2 Compound, aldehyde dehydrogenase 2 activating agent, pharmaceutical composition, and therapeutic and/or prophylactic drug ALDH2, ALDH1A1, ADH1A KDM4E 3876/4885ALDH1A1 2/4885TDP1 1033/4885
US-20230295091-A1 Compound, Aldehyde Dehydrogenase 2 Activating Agent, Pharmaceutical Composition, and Therapeutic and/or Prophylactic Drug ALDH2, ALDH1A1, ALDH3A1 KDM4E 3044/4885ALDH1A1 2/4885TDP1 1591/4885
US-20120010183-A1 Chemical Compounds SCN1A, SCN1B, SCN7A KDM4E 3227/4885ALDH1A1 1098/4885TDP1 1634/4885
US-20240109914-A1 IMIDAZOTHIAZOLE COMPOUNDS AND ANALOGS THEREOF AND METHODS FOR TREATING NEMATODE INFECTIONS IN PLANTS NISCH, ABAT, ICMT KDM4E 1875/4885ALDH1A1 2329/4885TDP1 3920/4885
US-20250049812-A1 Compounds that Inhibit Necroptosis and Their Preparation Methods RIPK1, RIPK3, RIPK4 KDM4E 1182/4885ALDH1A1 4793/4885TDP1 1415/4885
US-20130029949-A1 Substituted Quinolines and Their Use As Medicaments QARS1, RECQL, CYP3A7 KDM4E 2395/4885ALDH1A1 340/4885TDP1 1579/4885

“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.