SCHEMBL13169441

SCHEMBL13169441

C#Cc1cccc(NC(=O)Nc2cc(C)cc(C)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.57
POLB P06746 1/20 0.56
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
TDP1 Q9NUW8 1/20 0.49
GBA1 P04062 1/20 0.49
MAPK1 P28482 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
P2RX1 P51575 1/20 0.48
THRB P10828 1/20 0.47
DDX3X O00571 1/20 0.47

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
SCHEMBL4749975 0.89 MEN1 (0.60) IDH1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL13023031 0.85 DDX3X (0.60) IDH1POLBKMT2AMEN1MAPT
SCHEMBL13400526 0.85 MAPT (0.51) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL13400497 0.84 KCNK3 (0.56) IDH1POLBKMT2AMEN1MAPT
SCHEMBL12049693 0.83 IDH1 (0.54) IDH1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL17409476 0.82 SAE1 (0.64) IDH1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL13132839 0.81 HDAC3 (0.57) IDH1KMT2AMEN1MAPTALDH1A1
SCHEMBL13132510 0.81 NPC1 (0.55) IDH1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL13132649 0.81 NPC1 (0.55) IDH1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL13023327 0.81 HDAC3 (0.57) IDH1KMT2AMEN1MAPTPKM

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
US-20100079705-A1 SUBSTRATE FOR LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100079705-A1 SUBSTRATE FOR LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-04-01 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B IDH1 615/4885POLB 1474/4885KMT2A 730/4885

“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.