SCHEMBL1726249

SCHEMBL1726249

Clc1ccc(-c2cccs2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.55
AHR P35869 4/20 0.52
LTA4H P09960 1/20 0.47
ERN1 O75460 1/20 0.46
CYP1B1 Q16678 1/20 0.45
PGR P06401 1/20 0.44
SLC6A11 P48066 1/20 0.44
FTO Q9C0B1 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL6300223 0.82 KCNH2 (0.50) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL1323041 0.82 KCNH2 (0.70) KCNH2LTA4HERN1HDAC3HDAC1
SCHEMBL1133644 0.82 KCNH2 (0.50) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL18304653 0.82 KCNH2 (0.50) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL2368386 0.80 ERN1 (0.51) KCNH2LTA4HERN1PDK2
SCHEMBL16596476 0.80 ERN1 (0.48) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL6299734 0.78 KCNH2 (0.46) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL6298968 0.78 KCNH2 (0.46) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL28919215 0.78 ERN1 (0.62) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL7257068 0.78 MAOA (0.47) KCNH2LTA4HERN1PRMT6CYP11B1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115212861-B Encoding microsphere based on surface enhanced Raman scattering signal and application thereof 上海交通大学 2024-05-07 CN claimed
CN-115212861-B Encoding microsphere based on surface enhanced Raman scattering signal and application thereof 上海交通大学 2024-05-07 CN disclosed
CN-116635788-A Photosensitive dry film, laminated film, method for producing laminated film, and method for producing patterned resist film 东京应化工业株式会社 2023-08-22 CN disclosed
CN-116157739-A Chemically amplified photosensitive composition, photosensitive dry film, method for producing substrate with plating mold, and method for producing plating molded article 东京应化工业株式会社 2023-05-23 CN disclosed
EP-2403860-B1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE AS HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
EP-2403860-A2 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE AS HCV POLYMERASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-01-11 EP disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
WO-2010101967-A2 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
US-4432992-A PREVENTION OF CALCIUM OXALATE KIDNEY OR BLADDER STONES MERCK & CO., INC. (US) 1984-02-21 US disclosed
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 US disclosed
US-3966769-A Sulfonyl compounds CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-06-29 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 (1 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-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS PPP3CB, POLR2E, PSAT1 KCNH2 4433/4885AHR 3885/4885LTA4H 1410/4885

“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.