SCHEMBL8358472

SCHEMBL8358472

COc1c(C=O)c(=O)n(C)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
MAPT P10636 4/20 0.49
ALDH1A1 P00352 6/20 0.49
POLB P06746 3/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 3/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PABPC1 P11940 1/20 0.44
ATM Q13315 1/20 0.44
KDM1A O60341 1/20 0.43

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
SCHEMBL6578988 0.82 ALDH1A1 (0.57) HTTHPGDMAPTALDH1A1POLB
SCHEMBL31570917 0.79 KDM4E (0.46) HPGDMAPTALDH1A1POLBLMNA
SCHEMBL10314578 0.79 ALDH1A1 (0.53) HTTCYP1A2CYP2C19CYP3A4HPGD
SCHEMBL15920627 0.79 ALDH1A1 (0.51) HPGDMAPTALDH1A1LMNAKDM4E
SCHEMBL31018139 0.78 ALDH1A1 (0.50) HTTHPGDMAPTALDH1A1POLB
SCHEMBL8358461 0.78 MAPT (0.65) HTTCYP2C19HPGDMAPTALDH1A1
SCHEMBL15876642 0.78 ALDH1A1 (0.50) HTTHPGDMAPTALDH1A1POLB
SCHEMBL1240163 0.78 ALDH1A1 (0.50) HTTHPGDMAPTALDH1A1POLB
SCHEMBL8355870 0.77 KMT2A (0.53) MAPTALDH1A1POLBLMNAKDM4E
SCHEMBL8361597 0.77 KDM4E (0.53) HTTHPGDMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
EP-2723737-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Kyorin Pharmaceutical Co., Ltd. (JP) 2014-04-30 EP disclosed
WO-2013003383-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO disclosed
WO-2013003383-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO disclosed
US-5942522-A 1-BENZYL-3-ETHOXYCARBONYL-4-DIMETHYLAMINOETHOXY-6-METHYL-2-(1H) -QUINOLINONE; ANTIVIRAL AGAINST DNA CONTAINING VIRUSES, SUCH AS HERPES GROUP VIRUSES SCHERING CORPORATION (US) 1999-08-24 US disclosed
EP-0549729-B1 ANTIVIRAL COMPOUNDS AND ANTIHYPERTENSIVE COMPOUNDS SCHERING CORP (US) 1997-12-17 EP disclosed
US-5412104-A Hypotensive and antiviral agents SCHERING CORPORATION (US) 1995-05-02 US disclosed
US-5382572-A Viricides SCHERING CORPORATION (US) 1995-01-17 US disclosed
EP-0547145-A1 ANTIVIRAL 2(1H)-QUINOLINONE COMPOUNDS SCHERING CORPORATION (US) 1993-06-23 EP disclosed
WO-1992004326-A1 ANTIVIRAL COMPOUNDS SCHERING CORPORATION (US) 1992-03-19 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 (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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD HTT 4742/4885CYP1A2 397/4885CYP2C19 104/4885

“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.