SCHEMBL679565

SCHEMBL679565

Clc1ccc(-c2cs[c]n2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.46
AR P10275 1/20 0.42
KMO O15229 8/20 0.42
CYP1B1 Q16678 1/20 0.41
ABL1 P00519 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 1/20 0.39
VCP P55072 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL17626286 0.84 ABL1 (0.44) KMOABL1
SCHEMBL17626040 0.84 ABL1 (0.44) ARKMOABL1NPC1RAB9A
SCHEMBL6250500 0.82 MEN1 (0.43) AHRKMOKDM4ENPC1RAB9A
SCHEMBL17626166 0.81 AHR (0.35) AHRCYP1B1ALDH1A1CYP3A4
SCHEMBL17626005 0.80 NOTUM (0.51) CYP1A2
SCHEMBL17626316 0.80 PTGS2 (0.38) ABL1KMT2AMAPT
SCHEMBL17626199 0.80 KMO (0.46) KMONPC1RAB9AMEN1KMT2A
SCHEMBL468044 0.79 RAB9A (0.41) ABL1KDM4ENPC1RAB9AMEN1
SCHEMBL17626046 0.78 KMT2A (0.48) RAB9AKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL17626259 0.78 NR1H2 (0.35) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247811-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 EP claimed
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US claimed
CN-116406359-A Bicyclo [1.1.1] pentanes for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2023-07-07 CN claimed
WO-2022106375-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 WO claimed
CN-103958487-B Benzoic acid derivative as EIF4E inhibitor 霍夫曼-拉罗奇有限公司 2016-07-13 CN claimed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US claimed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US claimed
EP-4247811-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 EP disclosed
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US disclosed
CN-116406359-A Bicyclo [1.1.1] pentanes for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2023-07-07 CN disclosed
EP-4101297-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Pharmaceuticals, Inc. (US) 2022-12-14 EP disclosed
CN-114939117-A Method of treating vascular leak syndrome 视点制药公司 2022-08-26 CN disclosed
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL EyePoint, Inc. 2022-07-07 US disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA AHR 2990/4885AR 4190/4885KMO 4203/4885
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL TIE1, TEK, TGFB2 AHR 3361/4885AR 4097/4885KMO 3669/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA AHR 127/4885AR 1316/4885KMO 1571/4885
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP1B1, CYP7A1 AHR 288/4885AR 3415/4885KMO 480/4885

“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.