SCHEMBL13820101

SCHEMBL13820101

NCC(N)C(=O)Nc1ccccc1C#Cc1c(F)c(F)nc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ KDM4E B2RXH2 5/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ NLN Q9BYT8 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HCAR2 Q8TDS4 2/20 0.32
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CYP1A2 P05177 2/20 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
SCHEMBL13820103 0.88 LTA4H (0.41) L3MBTL1
SCHEMBL13820186 0.88 LTA4H (0.41) L3MBTL1
Hydrochloric Acid SCHEMBL13716978 0.87 LTA4H (0.40) L3MBTL1
Hydrochloric Acid SCHEMBL13716979 0.87 LTA4H (0.40) L3MBTL1
SCHEMBL13820117 0.81 LTA4H (0.38) —
Hydrochloric Acid SCHEMBL13717647 0.80 LTA4H (0.37) —
SCHEMBL13717468 0.79 ALDH1A1 (0.41) KDM4ESMN1; SMN2ALDH1A1GAALMNA
SCHEMBL13820102 0.79 L3MBTL1 (0.35) L3MBTL1KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL13717008 0.79 RAB9A (0.37) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13717004 0.79 RAB9A (0.37) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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 L3MBTL1 854/4885KDM4E 3989/4885SMN1; SMN2 4556/4885

“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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