SCHEMBL13023116

SCHEMBL13023116

Nc1cc(C(=O)Nc2cccc(C#Cc3ccc(F)c(F)c3)c2)cc(C(=O)Nc2cccc(C#Cc3ccc(F)c(F)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDR P35968 2/20 0.46
PDGFRB P09619 1/20 0.46
LCK P06239 2/20 0.46
TEK Q02763 2/20 0.46
ABL1 P00519 2/20 0.45
BCR P11274 2/20 0.45
PTPN11 Q06124 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TOP1 P11387 1/20 0.43
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL13023100 0.89 MEN1 (0.55) IKBKBNPC1RAB9ALCKTEK
SCHEMBL13023102 0.87 IKBKB (0.55) IKBKBNPC1RAB9ALCKTEK
SCHEMBL13023068 0.85 PTPN11 (0.60) IKBKBNPC1RAB9AKDRPDGFRB
SCHEMBL13023108 0.85 ABL1 (0.50) IKBKBNPC1RAB9AKDRPDGFRB
SCHEMBL13023107 0.85 NPC1 (0.54) IKBKBNPC1RAB9AKDRPDGFRB
SCHEMBL13023114 0.83 PTGS1 (0.63) NPC1RAB9AKDRPDGFRBLCK
SCHEMBL13023126 0.81 IKBKB (0.56) IKBKBKDRPDGFRBLCKTEK
SCHEMBL13065670 0.81 BCL9 (0.53) NPC1RAB9AMEN1KMT2ATOP1
SCHEMBL13023118 0.81 NPC1 (0.55) IKBKBNPC1RAB9AMEN1KMT2A
SCHEMBL13023127 0.80 KCNK3 (0.50) IKBKBKDRPDGFRBLCKTEK

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 IKBKB 1528/4885NPC1 1177/4885RAB9A 3465/4885

“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.