SCHEMBL16102807

SCHEMBL16102807

O=C(O)C1CC2CCCC(C1)N2C(=O)c1cc2n(n1)CCCN(C(=O)NCc1ccc(Cl)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.38
▸ KIT P10721 3/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL16099800 0.96 EPHX2 (0.41) KMT2ATDP1POLBEPHX2HRH3
SCHEMBL16099089 0.93 GRIN2B (0.37) KMT2APOLBEPHX2HRH3MAPK1
SCHEMBL16100285 0.91 F2 (0.40) POLBEPHX2HRH3MAPK1PKM
SCHEMBL16100456 0.90 HRH3 (0.39) EPHX2HRH3NPSR1
SCHEMBL16102917 0.89 GRM5 (0.34) KMT2AEPHX2HRH3MAPK1
SCHEMBL16100664 0.88 EPHX2 (0.38) KMT2AEPHX2HRH3MAPK1NPSR1
SCHEMBL16100455 0.88 F2 (0.41) POLBHRH3MAPK1PKM
SCHEMBL16100488 0.88 ALDH1A1 (0.35) KMT2AHRH3MAPK1NPSR1
SCHEMBL16099331 0.85 HRH3 (0.39) KMT2AHRH3MAPK1NPSR1
SCHEMBL16101350 0.85 SMN1; SMN2 (0.38) HRH3

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-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP claimed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO claimed
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO 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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 KMT2A 2542/4885TDP1 1068/4885POLB 3666/4885

“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.

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