SCHEMBL4568053

SCHEMBL4568053

COc1ccc(CC(=O)c2cccnc2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
ABCB1 P08183 1/20 0.45
NAMPT P43490 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SCD O00767 1/20 0.42
KDM4E B2RXH2 2/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL4568368 0.88 DYRK1A (0.39) TSHRSMN1; SMN2POLBMAPTKMT2A
SCHEMBL4568012 0.87 KMT2A (0.45) SMN1; SMN2POLBNPC1MAPTKMT2A
SCHEMBL4568067 0.86 KMT2A (0.50) SMN1; SMN2POLBNPC1MAPTABCB1
SCHEMBL4568366 0.85 DYRK1A (0.37) TSHRSMN1; SMN2POLBNPC1MAPT
SCHEMBL4568051 0.84 KCNK3 (0.45) TSHRSMN1; SMN2POLBNPC1KMT2A
SCHEMBL15998675 0.84 TSHR (0.53) TSHRSMN1; SMN2POLBNPC1MAPT
SCHEMBL4568049 0.82 RAB9A (0.46) TSHRSMN1; SMN2POLBNPC1MAPT
SCHEMBL4568061 0.82 NPC1 (0.46) SMN1; SMN2NPC1MAPTKMT2AMEN1
SCHEMBL4568052 0.82 NPC1 (0.46) TSHRSMN1; SMN2NPC1MAPTKMT2A
SCHEMBL4568365 0.82 KMT2A (0.41) TSHRSMN1; SMN2POLBNPC1MAPT

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
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
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 TSHR 279/4885SMN1; SMN2 4661/4885POLB 4054/4885

“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.