SCHEMBL4568353

SCHEMBL4568353

COc1cc(NC(=O)OC(C)(C)C)c(C)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 3/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.45
STAT3 P40763 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL4568355 0.94 ALDH1A1 (0.46) ALDH1A1NPSR1LMNATSHRL3MBTL1
SCHEMBL31744674 0.88 ALDH1A1 (0.59) ALDH1A1NPSR1LMNATSHRL3MBTL1
SCHEMBL4568354 0.84 MAPT (0.49) ALDH1A1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL4202989 0.83 AAK1 (0.43) ALDH1A1LMNAL3MBTL1KDM4EMEN1
SCHEMBL2792741 0.83 ALDH1A1 (0.46) ALDH1A1NPSR1LMNATSHRL3MBTL1
SCHEMBL15834220 0.82 ALDH1A1 (0.45) ALDH1A1NPSR1LMNATSHRL3MBTL1
SCHEMBL15818528 0.81 KDM4E (0.49) ALDH1A1NPSR1LMNATSHRL3MBTL1
SCHEMBL9731377 0.80 SMN1; SMN2 (0.51) ALDH1A1NPSR1LMNATSHRSMN1; SMN2
SCHEMBL8760722 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4568378 0.79 ALDH1A1 (0.44) ALDH1A1NPSR1LMNATSHRL3MBTL1

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 ALDH1A1 422/4885NPSR1 27/4885LMNA 4472/4885

“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.