SCHEMBL13065670

SCHEMBL13065670

Nc1cc(C(=O)Nc2cccc(-c3ccc(F)c(F)c3)c2)cc(C(=O)Nc2cccc(-c3ccc(F)c(F)c3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 4/20 0.53
CTNNB1 P35222 4/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TOP1 P11387 1/20 0.47
TOP2A P11388 1/20 0.47
TOP2B Q02880 1/20 0.47
ALOX5 P09917 1/20 0.46
PTGS1 P23219 2/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.44
CNR1 P21554 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13065991 0.88 MEN1 (0.59) BCL9CTNNB1NPC1RAB9AMEN1
SCHEMBL13065990 0.86 NPC1 (0.57) NPC1RAB9AMEN1KMT2AALOX5
SCHEMBL13065987 0.84 ALOX5 (0.62) MEN1KMT2AALOX5ADORA3
SCHEMBL13065678 0.83 NPC1 (0.57) NPC1RAB9AALOX5ADORA3SMN1; SMN2
SCHEMBL13065668 0.83 MEN1 (0.49) NPC1RAB9AMEN1KMT2ATOP1
SCHEMBL13023116 0.81 IKBKB (0.48) NPC1RAB9AMEN1KMT2ATOP1
SCHEMBL13065674 0.80 KCNK3 (0.55) MEN1KMT2AALOX5CYP11B1CYP11B2
SCHEMBL13065659 0.79 ADORA3 (0.72) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL13065682 0.77 CNR1 (0.56) MEN1KMT2ATOP1TOP2ATOP2B
SCHEMBL9323427 0.76 MEN1 (0.54) MEN1KMT2ATOP1TOP2ATOP2B

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 1 patent. 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

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 BCL9 4351/4885CTNNB1 1713/4885NPC1 1177/4885

“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.