SCHEMBL1797188

SCHEMBL1797188

CC(C)N(CCCCNC(=O)c1ccc(SC(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
NAMPT P43490 14/20 0.42
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CXCR4 P61073 1/20 0.37
F10 P00742 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
SCHEMBL1797329 0.87 ALDH1A1 (0.47) ALDH1A1NAMPTHPGDTSHRL3MBTL1
SCHEMBL1793135 0.86 ALDH1A1 (0.43) ALDH1A1NAMPTHPGDTSHRL3MBTL1
SCHEMBL1792100 0.84 ALDH1A1 (0.42) ALDH1A1NAMPTHPGDTSHRL3MBTL1
SCHEMBL1796189 0.83 KMT2A (0.44) ALDH1A1NAMPTHPGDTSHRL3MBTL1
SCHEMBL1795935 0.83 ALDH1A1 (0.41) ALDH1A1NAMPTHPGDTSHRL3MBTL1
SCHEMBL4589207 0.82 CXCR4 (0.56) ALDH1A1NAMPTHPGDTSHRL3MBTL1
SCHEMBL1796432 0.79 ALDH1A1 (0.41) ALDH1A1NAMPTHPGDTSHRL3MBTL1
SCHEMBL4607724 0.76 CXCR4 (0.47) ALDH1A1NAMPTCXCR4
SCHEMBL1794515 0.75 CXCR4 (0.49) ALDH1A1TSHRL3MBTL1CXCR4
SCHEMBL4589896 0.74 CXCR4 (0.48) ALDH1A1NAMPTCXCR4

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-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP disclosed
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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 (2 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-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 ALDH1A1 305/4885NAMPT 349/4885HPGD 607/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 ALDH1A1 334/4885NAMPT 365/4885HPGD 685/4885

“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.