SCHEMBL65445

SCHEMBL65445

O=S(=O)(Cl)CCc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.54
CA2 P00918 2/20 0.49
MTNR1A P48039 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
ACP3 P15309 1/20 0.44
DAO P14920 2/20 0.43
CYP2D6 P10635 1/20 0.43
GPR84 Q9NQS5 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 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
SCHEMBL31300446 1.00 NQO2 (0.54) NQO2CA2MTNR1ATDP1CYP1A2
SCHEMBL31078221 0.81 NQO2 (0.54) NQO2CA2MTNR1ATDP1CYP1A2
SCHEMBL6511791 0.81 NQO2 (0.54) NQO2CA2MTNR1ATDP1CYP1A2
SCHEMBL5609972 0.81 NQO2 (0.63) NQO2CA2MTNR1ATDP1CYP1A2
SCHEMBL5513121 0.81 CA2 (0.57) NQO2CA2MTNR1ATDP1CYP1A2
SCHEMBL497025 0.81 NQO2 (0.54) NQO2CA2MTNR1ATDP1CYP1A2
SCHEMBL13911250 0.80 NQO2 (0.57) NQO2CA2MTNR1ATDP1CYP1A2
SCHEMBL13389442 0.77 NQO2 (0.50) NQO2CA2MTNR1ATDP1CYP1A2
SCHEMBL13900920 0.77 NQO2 (0.54) NQO2CA2MTNR1ATDP1CYP1A2
SCHEMBL16313458 0.77 NQO2 (0.50) NQO2CA2MTNR1ATDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
CN-116783160-A Libraries of compounds 中外制药株式会社 2023-09-19 CN disclosed
WO-2022149617-A1 COMPOUND LIBRARY 中外製薬株式会社 2022-07-14 WO disclosed
US-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2016-09-29 US disclosed
US-9365567-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-06-14 US disclosed
WO-2000012496-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LTD. (KR) 2000-03-09 WO disclosed
WO-1999031092-A1 BENZAMINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-06-24 WO disclosed
WO-1999021869-A1 ERYTHROMYCIN A, 11,12-CARBAMATE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO disclosed
CN-1196731-A Di-glycosylated 1, 2-diols as mimetics of sialyl-lewis X and sialyl-lewis A NOVARTIS AG (CH) 1998-10-21 CN disclosed
EP-0836610-A1 DIGLYCOSYLATED 1,2-DIOLS AS MIMETICS OF SIALYL-LEWIS X AND SIALYL-LEWIS A Novartis AG (CH) 1998-04-22 EP disclosed
EP-0604184-B1 Inhibitors of HIV protease useful for the treatment of aids LILLY CO ELI (US) 1997-07-09 EP disclosed
WO-1997001569-A1 DIGLYCOSYLATED 1,2-DIOLS AS MIMETICS OF SIALYL-LEWIS X AND SIALYL-LEWIS A NOVARTIS AG (CH) 1997-01-16 WO disclosed
US-5554653-A Inhibitors of HIV protease useful for the treatment of AIDS ELI LILLY AND COMPANY (US) 1996-09-10 US disclosed
EP-0652009-A1 Identification and use of protease inhibitors ELI LILLY AND COMPANY (US) 1995-05-10 EP disclosed
EP-0604184-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 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 (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-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 NQO2 575/4885CA2 4015/4885MTNR1A 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.