SCHEMBL6046496

SCHEMBL6046496

O=Cc1ccc2c(c1)CCc1ccccc1N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SIRT2 Q8IXJ6 2/20 0.47
ALDH1A1 P00352 2/20 0.39
AHR P35869 1/20 0.39
PDK2 Q15119 1/20 0.39
KIF11 P52732 2/20 0.38
TBXAS1 P24557 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
HPGD P15428 1/20 0.37
PTK2B Q14289 1/20 0.37

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
SCHEMBL3952072 0.81 PDE3B (0.53) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL31590987 0.81 PDE3B (0.53) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL12459557 0.81 ALDH1A1 (0.46) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL12807460 0.80 MAPT (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8168846 0.79 ALOX5 (0.56) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8168845 0.79 ALOX5 (0.56) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL407439 0.77 NPC1 (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8162013 0.73 MAPT (0.53) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL16852145 0.73 MAPT (0.53) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL14698807 0.73 MAPT (0.53) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2845882-A2 Dye, Photoelectric Conversion Element and Photoelectrochemical Cell Fujifilm Corporation (JP) 2015-03-11 EP disclosed
EP-2352201-A1 DYE, PHOTOELECTRIC CONVERSION ELEMENT AND PHOTOELECTROCHEMICAL CELL EACH COMPRISING THE DYE, AND PROCESS FOR PRODUCING DYE FUJIFILM Corporation (JP) 2011-08-03 EP disclosed
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
US-20060239999-A1 Preventive and/or therapeutic drugs for asthma KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-10-26 US disclosed
EP-1547616-A1 PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ITCH KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-29 EP disclosed
EP-1537879-A1 PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ASTHMA KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-08 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 (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-20060239999-A1 Preventive and/or therapeutic drugs for asthma GPR4, HRH4, GPR3 NPC1 1194/4885MAPK13 659/4885MAPK12 710/4885
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch GPR4, TRPV1, TRPV4 NPC1 744/4885MAPK13 610/4885MAPK12 751/4885

“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.