SCHEMBL4877529

SCHEMBL4877529

CC(C)c1cccc(C(C)C)c1-n1cc(/C(=N/OC2CCN(C)CC2)c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ACKR3 P25106 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SLC5A7 Q9GZV3 2/20 0.33
P2RX7 Q99572 1/20 0.33
HTR1F P30939 3/20 0.33
GPR6 P46095 1/20 0.32
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
MAPK14 Q16539 2/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 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
SCHEMBL4877537 1.00 KMT2A (0.39) KMT2AACKR3HRH3SLC5A7P2RX7
SCHEMBL4874121 0.95 KMT2A (0.37) KMT2AACKR3HRH3SLC5A7P2RX7
SCHEMBL4874114 0.95 KMT2A (0.37) KMT2AACKR3HRH3SLC5A7P2RX7
SCHEMBL4868793 0.91 KMT2A (0.41) KMT2AACKR3HRH3HTR1FMAPK14
SCHEMBL4869380 0.91 KMT2A (0.41) KMT2AACKR3HRH3HTR1FMAPK14
SCHEMBL4868797 0.91 KMT2A (0.41) KMT2AACKR3HRH3HTR1FMAPK14
SCHEMBL4879057 0.90 P2RX7 (0.32) HRH3P2RX7MAPK14MAPK13MAPK12
SCHEMBL4879067 0.90 P2RX7 (0.32) HRH3P2RX7MAPK14MAPK13MAPK12
SCHEMBL4875278 0.90 KMT2A (0.40) KMT2AACKR3HRH3HTR1FGPR6
SCHEMBL4875287 0.90 KMT2A (0.40) KMT2AACKR3HRH3HTR1FGPR6

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 KMT2A 3886/4885ACKR3 94/4885HRH3 3264/4885

“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.