SCHEMBL13022951

SCHEMBL13022951

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
APEX1 P27695 1/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38

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
SCHEMBL13023066 0.97 SNCA (0.45) SNCAMEN1KMT2ATDP1POLB
SCHEMBL13023223 0.86 MEN1 (0.39) SNCAMEN1KMT2ATDP1POLB
SCHEMBL13022935 0.85 MEN1 (0.51) SNCAMEN1KMT2ATDP1POLB
SCHEMBL13022934 0.84 MEN1 (0.58) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL13023195 0.84 PTGS1 (0.55) MEN1KMT2ATDP1POLBLMNA
SCHEMBL13400506 0.83 THRB (0.51) MEN1KMT2ATDP1LMNANPC1
SCHEMBL13023046 0.82 MEN1 (0.51) SNCAMEN1KMT2ATDP1POLB
SCHEMBL3298253 0.82 PKM (0.52) SNCAMEN1KMT2ATDP1POLB
SCHEMBL13023047 0.81 MEN1 (0.54) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL13022964 0.81 KDM4E (0.36) SNCAMEN1KMT2ATDP1POLB

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 SNCA 2468/4885MEN1 379/4885KMT2A 583/4885

“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.