SCHEMBL13820140

SCHEMBL13820140

NCC(N)C(=O)NC(CN)C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ROCK2 O75116 4/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ MYLK4 Q86YV6 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL13717008 0.91 RAB9A (0.37) RAB9ASMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL13717004 0.91 RAB9A (0.37) RAB9ASMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL13820215 0.87 RAB9A (0.35) RAB9ASMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL13820149 0.87 ROCK2 (0.34) MEN1KMT2AROCK2ROCK1MYLK4
SCHEMBL13820137 0.85 RAB9A (0.33) RAB9ASMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL13820141 0.85 LTA4H (0.42) —
SCHEMBL13820171 0.81 LTA4H (0.45) RAB9ASMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL13827713 0.80 PDF (0.42) MEN1KMT2A
SCHEMBL13717193 0.80 PDF (0.42) MEN1KMT2A
SCHEMBL13717190 0.80 PDF (0.42) MEN1KMT2A

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 RAB9A 4352/4885SMN1; SMN2 4556/4885KDM4E 3989/4885

“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