SCHEMBL1089366

SCHEMBL1089366

CC(C)(C)c1ccc(S(=O)(=O)N2CCCC(N3CCCC(Nc4nccc(N5CCCCCC5)n4)C3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.45
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
CXCR4 P61073 1/20 0.43
HSD11B1 P28845 4/20 0.43
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 1/20 0.41
IKBKB O14920 3/20 0.40
BRAF P15056 1/20 0.40
MAPK8 P45983 1/20 0.39

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
SCHEMBL1090156 0.99 HRH4 (0.46) HRH4LMNAGAACXCR4HSD11B1
SCHEMBL1090003 0.97 CXCR4 (0.45) HRH4LMNAGAACXCR4HSD11B1
SCHEMBL1090247 0.93 EPHX2 (0.45) HRH4LMNAGAACXCR4HSD11B1
SCHEMBL1090011 0.92 KDM4E (0.44) HRH4LMNACXCR4ALDH1A1EPHX2
SCHEMBL1089736 0.91 HRH4 (0.44) HRH4LMNACXCR4ALDH1A1EPHX2
SCHEMBL1090051 0.91 EPHX2 (0.47) HRH4LMNAGAACXCR4HSD11B1
SCHEMBL1091333 0.91 HRH4 (0.47) HRH4LMNACXCR4ALDH1A1IKBKB
SCHEMBL1090290 0.90 HRH4 (0.48) HRH4LMNACXCR4ALDH1A1IKBKB
SCHEMBL1090292 0.89 CXCR4 (0.47) HRH4LMNACXCR4ALDH1A1IKBKB
SCHEMBL1089353 0.89 CXCR4 (0.52) HRH4LMNAGAACXCR4ALDH1A1

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 HRH4 130/4885LMNA 3658/4885GAA 4229/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 HRH4 130/4885LMNA 3658/4885GAA 4229/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 HRH4 130/4885LMNA 3658/4885GAA 4229/4885

“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.