SCHEMBL4872678

SCHEMBL4872678

CCN1CCC(O/N=C(\c2ccc(=O)n(-c3c(C)cccc3C)c2)c2ccc(F)cc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
EED O75530 1/20 0.32
HSD11B1 P28845 1/20 0.32
GAA P10253 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP3A4 P08684 2/20 0.31
FGFR1 P11362 2/20 0.31
PDGFRA P16234 2/20 0.31
FLT1 P17948 2/20 0.31
KDR P35968 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK14 Q16539 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4869399 1.00 L3MBTL1 (0.35) L3MBTL1ALDH1A1TDP1KDM4EEED
SCHEMBL4869395 1.00 L3MBTL1 (0.35) L3MBTL1ALDH1A1TDP1KDM4EEED
SCHEMBL4877225 0.94 L3MBTL1 (0.35) L3MBTL1ALDH1A1TDP1KDM4EHTR2A
SCHEMBL4877229 0.94 L3MBTL1 (0.35) L3MBTL1ALDH1A1TDP1KDM4EHTR2A
SCHEMBL4877778 0.91 MAPK14 (0.38) L3MBTL1ALDH1A1TDP1HSD11B1GAA
SCHEMBL4877782 0.91 MAPK14 (0.38) L3MBTL1ALDH1A1TDP1HSD11B1GAA
SCHEMBL4875287 0.91 KMT2A (0.40) HSD11B1MAPK14KMT2A
SCHEMBL4875278 0.91 KMT2A (0.40) HSD11B1MAPK14KMT2A
SCHEMBL4875671 0.90 ACKR3 (0.40) HSD11B1MAPK14KMT2A
SCHEMBL4875669 0.90 ACKR3 (0.40) HSD11B1MAPK14KMT2A

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
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US claimed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP claimed
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US disclosed
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US disclosed
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US disclosed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 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 (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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof MAPK1, NOS1, NOS2 L3MBTL1 3049/4885ALDH1A1 1539/4885TDP1 1836/4885

“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.