SCHEMBL250688

SCHEMBL250688

N#Cc1ccc(C(=O)CBr)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 1.00
PTPN1 P18031 5/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6291931 0.94 GSK3B (0.89) GSK3BPTPN1CA1CA2RAB9A
SCHEMBL2810270 0.85 GSK3B (0.73) GSK3BRAB9AALDH1A1MAPT
Benzonitrile SCHEMBL28107145 0.83 GSK3B (0.70) GSK3BPTPN1RAB9AALDH1A1MAPT
SCHEMBL11983785 0.83 GSK3B (0.70) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL205280 0.82 GSK3B (0.80) GSK3BPTPN1RAB9A
SCHEMBL319223 0.81 GSK3B (0.68) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL1657827 0.79 GSK3B (0.66) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL311121 0.79 GSK3B (0.66) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL13545641 0.79 GSK3B (0.66) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL1146988 0.79 RAB9A (0.71) GSK3BCA1CA2RAB9AALDH1A1

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 1174 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908954-A Chemical-enzymatic process synthesis method of isaconazole 浙江工业大学 2024-11-08 CN claimed
CN-116102524-B Asymmetric synthesis method of beta-amino alcohol compound 华东理工大学 2024-10-01 CN claimed
CN-118666831-A Synthesis method of isaconazole sulfate intermediate impurity 成都天兴致远生物科技有限公司 2024-09-20 CN claimed
EP-3959200-B1 NEW TRIAZOLE AND TRIAZOLOTHIADIAZINE DERIVATIVES EXERTING CYTOTOXIC AND APOPTOTIC EFFECTS ON A549 CELLS THROUGH AKT INHIBITION ANADOLU UNIV (TR) 2024-03-20 EP claimed
US-20240010644-A1 PROCESS FOR THE PREPARATION OF ISAVUCONAZONIUM SULFATE CITIBANK, N.A. 2024-01-11 US claimed
EP-3958980-B1 TARGETED NOVEL TRIAZOLOTHIADIAZINE DERIVATIVES FOR THE TREATMENT OF LUNG CANCER ANADOLU UNIV (TR) 2023-11-15 EP claimed
CN-116217501-A Method for efficiently synthesizing nitrogen-containing heterocyclic compound 东华理工大学 2023-06-06 CN claimed
EP-3959200-A1 NEW TRIAZOLE AND TRIAZOLOTHIADIAZINE DERIVATIVES EXERTING CYTOTOXIC AND APOPTOTIC EFFECTS ON A549 CELLS THROUGH AKT INHIBITION Anadolu Universitesi (TR) 2022-03-02 EP claimed
EP-3958980-A1 TARGETED NOVEL TRIAZOLOTHIADIAZINE DERIVATIVES FOR THE TREATMENT OF LUNG CANCER Anadolu Universitesi (TR) 2022-03-02 EP claimed
WO-2022005414-A1 NEW TRIAZOLE AND TRIAZOLOTHIADIAZINE DERIVATIVES EXERTING CYTOTOXIC AND APOPTOTIC EFFECTS ON A549 CELLS THROUGH AKT INHIBITION ANADOLU UNIVERSITESI (TR) 2022-01-06 WO claimed
EP-1954264-A2 PROCESS FOR THE MANUFACTURE OF EPOXYBUTANOL INTERMEDIATES Basilea Pharmaceutica AG (CH) 2008-08-13 EP claimed
WO-2007062542-A2 PROCESS FOR THE MANUFACTURE OF EPOXYBUTANOL INTERMEDIATES BASILEA PHARMACEUTICA AG (CH) 2007-06-07 WO claimed
EP-1745045-A2 NOVEL DICATIONIC IMIDAZO 1,2-a PYRIDINES AND 5,6,7,8-TE TRAHYDRO-IMIDAZO 1,2a PYRIDINES AS ANTIPROTOZOAL AGENTS The University of North Carolina at Chapel Hill (US) 2007-01-24 EP claimed
US-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents BOYKIN DAVID W 2005-12-22 US claimed
WO-2005086808-A2 NOVEL DICATIONIC IMIDAZO[1,2-a]PYRIDINES AND 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2a]PYRIDINES AS ANTIPROTOZOAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-22 WO claimed
US-20040176432-A1 Intermediate halophenyl derivatives and their use in a process for preparing azole derivatives BASILEA PHARMACEUTICA AG (CH) 2004-09-09 US claimed
EP-1399402-A1 INTERMEDIATE HALOPHENYL DERIVATIVES AND THEIR USE IN A PROCESS FOR PREPARING AZOLE DERIVATIVES Basilea Pharmaceutica AG (CH) 2004-03-24 EP claimed
WO-2003002498-A1 INTERMEDIATE HALOPHENYL DERIVATIVES AND THEIR USE IN A PROCESS FOR PREPARING AZOLE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2003-01-09 WO claimed
US-6300353-B1 FOR THERAPY OF FUNGAL INFECTIONS BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2001-10-09 US claimed
WO-1999045008-A1 3-[4-(4-CYANOPHENYL)THIAZOL-2-Y)]-1-(1H-1,2,4-TRIAZOL-1-YL)-BUTAN-2-OL DERIVATIVES HAVING ANTIFUNGAL ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 1999-09-10 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents PBRM1, QDPR, DHPS GSK3B 4819/4885PTPN1 2973/4885CA1 3509/4885
US-20240010644-A1 PROCESS FOR THE PREPARATION OF ISAVUCONAZONIUM SULFATE STS, MPST, SULT1A1 GSK3B 1657/4885PTPN1 4109/4885CA1 2028/4885
US-20040176432-A1 Intermediate halophenyl derivatives and their use in a process for preparing azole derivatives CYP51A1, MALT1, CYP7A1 GSK3B 2119/4885PTPN1 833/4885CA1 411/4885

“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.