Sugi Predict

Sugi Predict / Compounds / SCHEMBL4578089

SCHEMBL4578089

SCHEMBL4578089

O=C(O)CN(Cc1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1)C(=O)C(Cc1ncc[nH]1)Cc1ncc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ RCOR1 Q9UKL0 1/20 0.33
▸ CYP3A4 P08684 7/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2D6 P10635 6/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CTSD P07339 1/20 0.32

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
SCHEMBL4208299 0.92 CXCR4 (0.52) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4777454 0.88 CXCR4 (0.58) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4201919 0.88 CXCR4 (0.49) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4202737 0.85 CXCR4 (0.45) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1794877 0.84 CXCR4 (0.69) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1796943 0.84 CXCR4 (0.69) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4209811 0.84 CXCR4 (0.51) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1794789 0.84 CXCR4 (0.69) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1793097 0.84 CXCR4 (0.49) CXCR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2696748 0.83 CXCR4 (0.59) CXCR4ALDH1A1MEN1KMT2AKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942108-B1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-09-04 — — EP claimed
US-8318931-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 — — US claimed
US-8293896-B2 — — 2012-10-23 — — US claimed
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 — — US disclosed
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-13 — — US disclosed
EP-2657235-A1 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-30 — — EP disclosed
EP-1942108-B1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-09-04 — — EP disclosed
EP-1942108-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-09 — — 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-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 CXCR4 1/4885ALDH1A1 793/4885MEN1 3160/4885

“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.