SCHEMBL13022964

SCHEMBL13022964

C#Cc1cc(C#C)c(NC(=O)c2cc(N)cc(N)c2)c(C#C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SNCA P37840 1/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
PKM P14618 1/20 0.32
APEX1 P27695 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL13022958 0.86 KDM4E (0.32) KDM4EALDH1A1LMNAPOLB
SCHEMBL13400491 0.84 MEN1 (0.40) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL13022997 0.83 ALDH1A1 (0.38) KDM4EALDH1A1SNCALMNAPOLB
SCHEMBL13022951 0.81 SNCA (0.45) SNCALMNAPOLBMEN1KMT2A
SCHEMBL13023066 0.78 SNCA (0.45) SNCALMNAPOLBMEN1KMT2A
SCHEMBL13022935 0.76 MEN1 (0.51) KDM4EALDH1A1SNCALMNAPOLB
SCHEMBL13022955 0.74 SNCA (0.45) KDM4ESNCALMNAPOLBMEN1
SCHEMBL13023046 0.73 MEN1 (0.51) KDM4EALDH1A1SNCALMNAPOLB
SCHEMBL28524340 0.73 ALDH1A1 (0.37) KDM4EALDH1A1LMNAPOLBMEN1
SCHEMBL13022934 0.73 MEN1 (0.58) MEN1KMT2ATDP1NPC1RAB9A

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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 KDM4E 3239/4885ALDH1A1 1480/4885SNCA 2468/4885

“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.