SCHEMBL4568368

SCHEMBL4568368

COc1cncc(C(=O)Cc2ccc(OC)cc2NC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.39
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
KMT2A Q03164 2/20 0.36
NR1I2 O75469 1/20 0.36
F10 P00742 1/20 0.36
MEN1 O00255 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CYP17A1 P05093 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4568366 0.91 DYRK1A (0.37) DYRK1APOLBTSHRSMN1; SMN2CYP11B1
SCHEMBL4568053 0.88 TSHR (0.49) POLBTSHRSMN1; SMN2KMT2AMEN1
SCHEMBL4568067 0.86 KMT2A (0.50) POLBSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4568012 0.84 KMT2A (0.45) POLBSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4568052 0.84 NPC1 (0.46) TSHRSMN1; SMN2KMT2AF10MEN1
SCHEMBL4568062 0.83 MEN1 (0.45) POLBSMN1; SMN2KMT2AF10MEN1
SCHEMBL4568054 0.83 SMN1; SMN2 (0.47) TSHRSMN1; SMN2KMT2AF10MEN1
SCHEMBL4568362 0.82 CYP17A1 (0.37) POLBSMN1; SMN2KMT2AF10MEN1
SCHEMBL4568051 0.82 KCNK3 (0.45) POLBTSHRSMN1; SMN2KMT2ATP53
SCHEMBL4568064 0.81 DGAT2 (0.39) DYRK1APOLBTSHRSMN1; SMN2CTSL

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R DYRK1A 920/4885CLK2 1525/4885CLK3 1141/4885

“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.