SCHEMBL2568552

SCHEMBL2568552

NCc1ccc(-c2cccc(OCc3ccccc3)c2)c(OCCCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MAOB P27338 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR4A2 P43354 2/20 0.42
PTGER1 P34995 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
GSTP1 P09211 2/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
CYP19A1 P11511 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
SCHEMBL2567774 0.83 CYP19A1 (0.53) CYP4F2CYP4A11MAOBMRGPRX4NR4A2
SCHEMBL2570251 0.81 CSNK2A1 (0.47) CFDMAOBMAPK1TDP1CYP19A1
SCHEMBL2573344 0.80 CSNK2A1 (0.54) CFDMAOBMRGPRX4PTGER1GSTP1
SCHEMBL2006949 0.80 MAOB (0.56) CYP4F2CYP4A11MAOBMAPTKDM4E
SCHEMBL16501385 0.78 MAOB (0.43) CYP4F2CYP4A11MAOBKDM4EMAPK1
SCHEMBL2567693 0.76 CCR6 (0.48) CFDKDM4ECYP19A1CYP11B1CYP11B2
SCHEMBL2570119 0.75 MAOB (0.65) CFDCYP4F2CYP4A11MAOBMRGPRX4
SCHEMBL9453126 0.75 CYP4F2 (0.64) CYP4F2CYP4A11MAOBLTA4HEPHX2
SCHEMBL24675198 0.73 PRSS1 (0.49) CYP4F2CYP4A11MAOB
SCHEMBL538599 0.73 MAOB (0.70) CYP4F2CYP4A11MAOBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698635-B1 BENZIMIDAZOLE DERIVATIVES AND MEDICAL USES THEREOF KISSEI PHARMACEUTICAL (JP) 2011-12-14 EP disclosed
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-7547680-B2 Benzimidazole derivatives and medical uses thereof KISSEI PHARMACEUTICALS, CO., LTD. (JP) 2009-06-16 US disclosed
US-20080038242-A1 Benzimidazole derivatives and medical uses thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP disclosed
EP-1698635-A1 BENZIMIDAZOLE DERIVATIVES AND MEDICAL USES THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2006-09-06 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 (3 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 CFD 3412/4885CYP4F2 916/4885CYP4A11 502/4885
US-20080038242-A1 Benzimidazole derivatives and medical uses thereof SLCO1B3, SLCO2A1, SLCO2B1 CFD 3333/4885CYP4F2 251/4885CYP4A11 1003/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP CFD 3795/4885CYP4F2 726/4885CYP4A11 286/4885

“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.