SCHEMBL1089005

SCHEMBL1089005

Cc1cccc(C(=O)N2CCC(N3CCCCC(Nc4nccc(N5CCCCCC5)n4)C3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
GBA1 P04062 1/20 0.48
HPGD P15428 2/20 0.47
L3MBTL3 Q96JM7 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CCNK O75909 2/20 0.45
CDK12 Q9NYV4 2/20 0.45
HRH4 Q9H3N8 3/20 0.45
CXCR4 P61073 1/20 0.45
MBTD1 Q05BQ5 1/20 0.44
MAPK8 P45983 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1090616 0.98 GBA1 (0.48) EPHX2GBA1HPGDL3MBTL3L3MBTL1
SCHEMBL1090983 0.96 GBA1 (0.49) EPHX2GBA1HPGDL3MBTL3L3MBTL1
SCHEMBL1091060 0.92 CCNK (0.49) EPHX2GBA1HPGDCCNKCDK12
SCHEMBL1090789 0.91 CCNK (0.50) EPHX2GBA1HPGDCCNKCDK12
SCHEMBL1091359 0.90 L3MBTL1 (0.51) L3MBTL3L3MBTL1CCNKCDK12HRH4
SCHEMBL1090534 0.90 TDP1 (0.55) EPHX2L3MBTL3L3MBTL1CCNKCDK12
SCHEMBL1091096 0.90 CCNK (0.51) EPHX2GBA1L3MBTL3L3MBTL1CCNK
SCHEMBL1091241 0.90 CXCR4 (0.53) EPHX2L3MBTL3L3MBTL1CCNKCDK12
SCHEMBL1090683 0.90 ALDH1A1 (0.48) HPGDL3MBTL3L3MBTL1CCNKCDK12
SCHEMBL1090289 0.89 L3MBTL1 (0.51) L3MBTL3L3MBTL1CCNKCDK12CXCR4

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-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-02 US disclosed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 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 (3 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-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 EPHX2 494/4885GBA1 3584/4885HPGD 34/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 EPHX2 494/4885GBA1 3584/4885HPGD 34/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 EPHX2 494/4885GBA1 3584/4885HPGD 34/4885

“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.