SCHEMBL1090247

SCHEMBL1090247

CC(C)(C)c1ccc(S(=O)(=O)N2CCC(N3CCCC(Nc4nccc(N5CCCCCC5)n4)C3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HRH4 Q9H3N8 3/20 0.43
▸ HSD11B1 P28845 2/20 0.43
▸ CXCR4 P61073 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ IKBKB O14920 2/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL1090051 0.98 EPHX2 (0.47) EPHX2LMNAGAAHRH4HSD11B1
SCHEMBL1089768 0.96 CXCR4 (0.46) EPHX2LMNAGAAHRH4HSD11B1
SCHEMBL1089366 0.93 HRH4 (0.45) EPHX2LMNAGAAHRH4HSD11B1
SCHEMBL1090156 0.92 HRH4 (0.46) EPHX2LMNAGAAHRH4HSD11B1
SCHEMBL1089222 0.92 MEN1 (0.46) EPHX2GAAHRH4CXCR4ALDH1A1
SCHEMBL1089014 0.91 ALDH1A1 (0.55) EPHX2LMNAGAAHRH4CXCR4
SCHEMBL1090032 0.90 EPHX2 (0.47) EPHX2GAAHRH4CXCR4ALDH1A1
SCHEMBL1090003 0.89 CXCR4 (0.45) LMNAGAAHRH4HSD11B1CXCR4
SCHEMBL1090475 0.89 ALDH1A1 (0.55) GAAHRH4CXCR4ALDH1A1KDM4E
SCHEMBL1090079 0.89 ALDH1A1 (0.55) EPHX2LMNAGAAHRH4CXCR4

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 494/4885LMNA 3658/4885GAA 4229/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 EPHX2 494/4885LMNA 3658/4885GAA 4229/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 EPHX2 494/4885LMNA 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.

Send feedback