SCHEMBL5536385

SCHEMBL5536385

[CH2]CCc1cccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
MAPT P10636 3/20 0.50
MMP2 P08253 2/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HTT P42858 2/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50
CCR1 P32246 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL5539543 0.89 KDM4E (0.47) KDM4EMAPTMMP2TSHRTDP1
SCHEMBL5543560 0.87 HDAC6 (0.46) KDM4EMAPTMMP2TSHRTDP1
SCHEMBL5537452 0.86 HDAC6 (0.45) KDM4EMAPTMMP2TSHRTDP1
SCHEMBL216373 0.84 KDM4E (0.54) KDM4EMAPTMMP2TSHRTDP1
SCHEMBL6222571 0.81 LMNA (0.50) KDM4EMAPTMMP2TSHRTDP1
SCHEMBL30203803 0.81 HDAC6 (0.52) KDM4EMAPTMMP2TSHRTDP1
SCHEMBL1709266 0.81 KDM4E (0.50) KDM4EMAPTMMP2TSHRTDP1
SCHEMBL27672317 0.81 KDM4E (0.50) KDM4EMAPTMMP2TSHRTDP1
SCHEMBL11497495 0.81 HDAC6 (0.52) KDM4EMAPTMMP2TSHRTDP1
SCHEMBL4653779 0.78 HDAC6 (0.40) KDM4EMAPTMMP2TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020077302-A1 Tricyclic erythromycin derivatives PFIZER PRODUCTS INC. 2002-06-20 US claimed
US-20020061856-A1 Novel tricyclic erythromycin derivatives PFIZER INC. 2002-05-23 US claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 CN disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7101909-B2 Compound of a ligand of 2-methoxy methylester-6-fluoronaphthalene, an aryl ligand and a linker; each ligand domain capable of binding to a Ca++ channel THERAVANCE, INC. (US) 2006-09-05 US disclosed
WO-1999064045-A1 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064050-A1 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999063984-A1 NOVEL SODIUM CHANNEL DRUGS AND USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999063992-A1 NOVEL CALCIUM CHANNEL DRUGS AND USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064033-A1 PHOSPHODIESTERASE-V MODULATOR DRUGS AND THEIR USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064051-A1 NOVEL ANTIBACTERIAL COMPOUNDS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999051565-A9 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE INC (US) 1999-12-02 WO disclosed
WO-1999051565-A1 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE, INC. (US) 1999-10-14 WO disclosed
WO-1999042476-A1 NOVEL ANTIBACTERIAL AGENTS ADVANCED MEDICINE, INC. (US) 1999-08-26 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-20020077302-A1 Tricyclic erythromycin derivatives MRPL21, CYP7A1, CYP3A7 KDM4E 2444/4885MAPT 4043/4885MMP2 2439/4885
US-20020061856-A1 Novel tricyclic erythromycin derivatives MRPL21, CYP7A1, CYP3A7 KDM4E 2128/4885MAPT 4056/4885MMP2 3109/4885

“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.