SCHEMBL16776370

SCHEMBL16776370

O=C(NCCCc1cccnc1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ PTAFR P25105 4/20 0.38
▸ NAMPT P43490 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ FKBP1A P62942 1/20 0.36
▸ SIGMAR1 Q99720 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
SCHEMBL16776320 0.95 KMT2A (0.43) KMT2ACHRM4MEN1GRIN1GRIN2B
SCHEMBL16776305 0.92 ASAH1 (0.41) EPHX2CHRM4NAMPTITGB3ITGA2B
SCHEMBL16776337 0.92 EPHB4 (0.39) CHRM4GRIN1GRIN2BNAMPTTRPV1
SCHEMBL16776303 0.90 ASAH1 (0.44) EPHX2NAMPTITGB3ITGA2BSIGMAR1
SCHEMBL16776316 0.87 CA12 (0.42) KMT2ACHRM4MEN1NAMPTPOLB
SCHEMBL16776369 0.85 CTSK (0.41) CHRM4GRIN1GRIN2BNAMPT
SCHEMBL16776302 0.84 POLB (0.43) KDM4EPOLBEPHB4
SCHEMBL16776331 0.83 CYP1A2 (0.43) NAMPTKDM4E
SCHEMBL16775824 0.83 HTR2A (0.50) KMT2AMEN1
SCHEMBL16776325 0.82 CHRM4 (0.40) KMT2ACHRM4GRIN1GRIN2BNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 EPHX1 4034/4885EPHX2 4530/4885KMT2A 1438/4885

“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.

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