SCHEMBL4875586

SCHEMBL4875586

Cc1cccc(C)c1-n1cc(C(=NOC2CCN(C(C)C)CC2)c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.41
ACKR3 P25106 1/20 0.38
ESRRB O95718 1/20 0.35
ESR1 P03372 1/20 0.35
ESRRG P62508 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK14 Q16539 3/20 0.34
HSD11B1 P28845 1/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
KMT2A Q03164 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
SCHEMBL4877401 1.00 HRH3 (0.41) HRH3ACKR3ESRRBESR1ESRRG
SCHEMBL4875575 1.00 HRH3 (0.41) HRH3ACKR3ESRRBESR1ESRRG
SCHEMBL4876154 0.91 MAPK14 (0.41) HRH3ACKR3ESRRBESR1ESRRG
SCHEMBL4876150 0.91 MAPK14 (0.41) HRH3ACKR3ESRRBESR1ESRRG
SCHEMBL4875287 0.91 KMT2A (0.40) HRH3ACKR3MAPK14HSD11B1MAPK13
SCHEMBL4875278 0.91 KMT2A (0.40) HRH3ACKR3MAPK14HSD11B1MAPK13
SCHEMBL4872678 0.88 L3MBTL1 (0.35) KCNH2MAPK14HSD11B1KMT2A
SCHEMBL4869395 0.88 L3MBTL1 (0.35) KCNH2MAPK14HSD11B1KMT2A
SCHEMBL4869399 0.88 L3MBTL1 (0.35) KCNH2MAPK14HSD11B1KMT2A
SCHEMBL4874114 0.88 KMT2A (0.37) HRH3ACKR3HSD11B1KMT2A

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 2 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 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 HRH3 3264/4885ACKR3 94/4885ESRRB 2766/4885

“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.