SCHEMBL13717228

SCHEMBL13717228

NCCCCC(N)C(=O)Nc1cc(C#Cc2c(F)c(F)nc(F)c2F)cc(C#Cc2c(F)c(F)nc(F)c2F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.42
▸ TERT O14746 5/20 0.38
▸ SUV39H2 Q9H5I1 2/20 0.37
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ FURIN P09958 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ GNAI3 P08754 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ GNAI1 P63096 1/20 0.33
▸ ERAP2 Q6P179 2/20 0.32
▸ LNPEP Q9UIQ6 1/20 0.32
▸ SPHK1 Q9NYA1 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ GSR P00390 1/20 0.32
▸ ERAP1 Q9NZ08 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
SCHEMBL13717225 1.00 LTA4H (0.42) LTA4HTERTSUV39H2MMP2MMP9
SCHEMBL13827482 0.92 LTA4H (0.38) LTA4HTERTSUV39H2MMP2MMP9
SCHEMBL13820111 0.90 LTA4H (0.44) LTA4HTERTSUV39H2MMP2MMP9
SCHEMBL13820179 0.90 LTA4H (0.44) LTA4HTERTSUV39H2MMP2MMP9
Hydrochloric Acid SCHEMBL13717545 0.89 LTA4H (0.43) LTA4HTERTSUV39H2MMP2MMP9
Hydrochloric Acid SCHEMBL13717543 0.89 LTA4H (0.43) LTA4HTERTSUV39H2MMP2MMP9
SCHEMBL13820171 0.86 LTA4H (0.45) LTA4HTERTSUV39H2MMP2MMP9
Hydrochloric Acid SCHEMBL13717210 0.85 LTA4H (0.44) LTA4HTERTSUV39H2MMP2MMP9
Hydrochloric Acid SCHEMBL13717208 0.85 LTA4H (0.44) LTA4HTERTSUV39H2MMP2MMP9
SCHEMBL16389212 0.84 LTA4H (0.45) LTA4HTERTSUV39H2MMP2MMP9

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 5 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-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-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
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 LTA4H 3125/4885TERT 1543/4885SUV39H2 845/4885

“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