SCHEMBL13820104

SCHEMBL13820104

CNCC(NC)C(=O)Nc1cccc(C#Cc2c(F)c(F)nc(F)c2F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDR P35968 8/20 0.36
▸ PDGFRB P09619 4/20 0.35
▸ GFER P55789 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ XIAP P98170 3/20 0.34
▸ BIRC2 Q13490 3/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ IKBKB O14920 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
SCHEMBL13820144 0.84 AAK1 (0.32) MEN1KMT2A
SCHEMBL13820116 0.80 HCAR2 (0.31) MEN1KMT2A
SCHEMBL13820105 0.80 PTPN11 (0.40) GRM5PTPN11SMN1; SMN2KDRPDGFRB
SCHEMBL13717147 0.80 GRM5 (0.56) GRM5PTPN11SMN1; SMN2NPC1RAB9A
SCHEMBL13820102 0.79 L3MBTL1 (0.35) SMN1; SMN2KDRNPC1RAB9AMEN1
SCHEMBL13717245 0.76 SIRT5 (0.41) SMN1; SMN2
SCHEMBL13820179 0.76 LTA4H (0.44) GRM5PTPN11KDR
SCHEMBL13820111 0.76 LTA4H (0.44) GRM5PTPN11KDR
Hydrochloric Acid SCHEMBL13717545 0.75 LTA4H (0.43) GRM5PTPN11KDR
Hydrochloric Acid SCHEMBL13717543 0.75 LTA4H (0.43) GRM5PTPN11KDR

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 GRM5 4498/4885PTPN11 4588/4885SMN1; 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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