SCHEMBL13022935

SCHEMBL13022935

C#Cc1ccc(NC(=O)c2cc(N)cc(N)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
APEX1 P27695 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SNCA P37840 1/20 0.51
TOP1 P11387 1/20 0.46
TOP2A P11388 1/20 0.46
TOP2B Q02880 1/20 0.46
NQO2 P16083 1/20 0.45
PTGS1 P23219 4/20 0.44
TRPV1 Q8NER1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
F10 P00742 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL13023046 0.97 MEN1 (0.51) MEN1LMNAPOLBPKMAPEX1
SCHEMBL13300032 0.87 PLAU (0.52) MEN1LMNAPOLBPKMAPEX1
SCHEMBL12540695 0.86 MEN1 (0.67) MEN1LMNAPOLBPKMAPEX1
SCHEMBL13022951 0.85 SNCA (0.45) MEN1LMNAPOLBPKMAPEX1
SCHEMBL13400496 0.84 MEN1 (0.58) MEN1KMT2ATOP1TOP2ATOP2B
SCHEMBL13022934 0.83 MEN1 (0.58) MEN1KMT2ATDP1TOP1TOP2A
SCHEMBL9318389 0.83 POLB (0.74) MEN1LMNAPOLBPKMAPEX1
SCHEMBL4312329 0.83 NPC1 (0.57) MEN1LMNAPOLBPKMAPEX1
SCHEMBL3845313 0.83 NPC1 (0.57) MEN1LMNAPOLBPKMAPEX1
SCHEMBL13023066 0.82 SNCA (0.45) MEN1LMNAPOLBPKMAPEX1

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 3 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
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP 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 MEN1 379/4885LMNA 413/4885POLB 1371/4885

“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.