SCHEMBL7400960

SCHEMBL7400960

O=c1oc2ccccc2c(O)c1C(c1cccc(NS(=O)(=O)c2ncc[nH]2)c1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 3/20 0.42
VKORC1 Q9BQB6 2/20 0.40
CYP2C9 P11712 4/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TOP1 P11387 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
SCHEMBL7402921 0.86 KDM4E (0.47) NQO1VKORC1CYP2C9KDM4EMEN1
SCHEMBL7406713 0.85 NQO1 (0.41) NQO1VKORC1CYP2C9TOP1
SCHEMBL7403439 0.85 ADRA1A (0.34) LMNAMAPT
SCHEMBL7405056 0.84 NQO1 (0.43) NQO1VKORC1CYP2C9KDM4EMEN1
SCHEMBL7400476 0.83 NQO1 (0.47) NQO1VKORC1CYP2C9MEN1KMT2A
SCHEMBL7404492 0.82 NQO1 (0.46) NQO1VKORC1CYP2C9KDM4EMEN1
SCHEMBL7400467 0.82 NQO1 (0.43) NQO1VKORC1CYP2C9TOP1
SCHEMBL7403207 0.82 NQO1 (0.42) NQO1VKORC1CYP2C9TOP1
SCHEMBL7400073 0.82
SCHEMBL7404034 0.82 NQO1 (0.41) NQO1VKORC1CYP2C9KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993590-B2 Pyranone compounds useful to modulate OMA1 protease 712 NORTH INC. (US) 2024-05-28 US claimed
US-20210246125-A1 PYRANONE COMPOUNDS USEFUL TO MODULATE OMA1 PROTEASE 712 NORTH INC. 2021-08-12 US claimed
CN-1150424-A Compounds for the treatment of retroviral infections UPJOHN CO (US) 1997-05-21 CN claimed
CN-1749252-B Compounds useful to treat retroviral infections PHARMACIA & UPJOHN CO LLC (US) 2011-06-08 CN disclosed
CN-1329378-C Compounds for the treatment of retroviral infections PHARMACIA & UPJOHN CO LLC (US) 2007-08-01 CN disclosed
CN-1749252-A Compounds useful to treat retroviral infections PHARMACIA & UPJOHN CO LLC (US) 2006-03-22 CN disclosed
CN-1539825-A Compounds for the treatment of retroviral infections �������Ŷ���Լ��������˾ 2004-10-27 CN disclosed
CN-1154642-C Compounds for the treatment of retroviral infections �������Ŷ���Լ��������˾ 2004-06-23 CN disclosed
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 US disclosed
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 US disclosed
CN-1150424-A Compounds for the treatment of retroviral infections UPJOHN CO (US) 1997-05-21 CN disclosed
EP-0758327-A1 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-19 EP disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 WO 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 (2 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-20210246125-A1 PYRANONE COMPOUNDS USEFUL TO MODULATE OMA1 PROTEASE OPA1, OLA1, PITRM1 NQO1 121/4885VKORC1 245/4885CYP2C9 3003/4885
US-11993590-B2 Pyranone compounds useful to modulate OMA1 protease OPA1, OLA1, PITRM1 NQO1 121/4885VKORC1 245/4885CYP2C9 3003/4885

“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.