SCHEMBL13717154

SCHEMBL13717154

O=C(O)NCCCC(NC(=O)O)C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)c(C#Cc2c(F)c(F)nc(F)c2F)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 5/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SIRT1 Q96EB6 5/20 0.32
▸ HDAC1 Q13547 3/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ SIRT2 Q8IXJ6 5/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HDAC4 P56524 1/20 0.31

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
SCHEMBL13717184 0.87 SIRT1 (0.35) SIRT5SIRT1HDAC1FOLH1SIRT2
SCHEMBL13717245 0.83 SIRT5 (0.41) SIRT5SIRT1HDAC1CA1CA2
SCHEMBL13716981 0.83 SIRT1 (0.35) SIRT5SIRT1CA1CA2FOLH1
SCHEMBL13717194 0.81 SIRT5 (0.37) SIRT5SIRT1HDAC1FOLH1SIRT2
SCHEMBL13820151 0.80 TERT (0.39) KMT2AMEN1
SCHEMBL13820144 0.76 AAK1 (0.32) KMT2AMEN1
SCHEMBL13820149 0.76 ROCK2 (0.34) KMT2AMEN1
SCHEMBL13820172 0.75 TERT (0.39) —
SCHEMBL13717238 0.75 RAB9A (0.33) KMT2AMEN1
SCHEMBL13827497 0.67 CA1 (0.47) SIRT5KMT2ASIRT1HDAC1CA1

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-8927728-B2 Dipeptide acetylene conjugates and a method for photocleavage of double strand DNA by dipeptide acetylene conjugates The Florida State University Research Foundation, Inc. (US) 2015-01-06 — — US disclosed
US-20120288940-A1 DIPEPTIDE ACETYLENE CONJUGATES AND A METHOD FOR PHOTOCLEAVAGE OF DOUBLE STRAND DNA BY DIPEPTIDE ACETYLENE CONJUGATES The Florida State University Research Foundation, Inc. (US) 2012-11-15 — — 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-20120288940-A1 DIPEPTIDE ACETYLENE CONJUGATES AND A METHOD FOR PHOTOCLEAVAGE OF DOUBLE STRAND DNA BY DIPEPTIDE ACETYLENE CONJUGATES DNPEP, DCLRE1A, PCNA SIRT5 1981/4885KMT2A 1160/4885SIRT1 969/4885

“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