SCHEMBL6721749

SCHEMBL6721749

COc1ccc(N2C(=O)C(O[Si](C(C)C)(C(C)C)C(C)C)C2c2ncccc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
HSD11B1 P28845 5/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
SHMT2 P34897 2/20 0.39
KAT2B Q92831 1/20 0.38
KDM4E B2RXH2 2/20 0.35
HKDC1 Q2TB90 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL4671613 1.00 NPSR1 (0.41) NPSR1HSD11B1ALDH1A1MAPTTSHR
SCHEMBL4177495 0.85 HSD11B1 (0.45) NPSR1HSD11B1ALDH1A1MAPTTSHR
SCHEMBL4177483 0.85 HSD11B1 (0.45) NPSR1HSD11B1ALDH1A1MAPTTSHR
SCHEMBL4177490 0.85 HSD11B1 (0.45) NPSR1HSD11B1ALDH1A1MAPTTSHR
SCHEMBL4677221 0.84 KDM4E (0.34) HSD11B1ALDH1A1MAPTTSHRMEN1
SCHEMBL4673240 0.82 NPSR1 (0.42) NPSR1HSD11B1ALDH1A1MAPTTSHR
SCHEMBL4673246 0.82 NPSR1 (0.42) NPSR1HSD11B1ALDH1A1MAPTTSHR
SCHEMBL4673235 0.82 NPSR1 (0.42) NPSR1HSD11B1ALDH1A1MAPTTSHR
SCHEMBL4671101 0.80 SMN1; SMN2 (0.57) NPSR1HSD11B1ALDH1A1MAPTTSHR
SCHEMBL13417830 0.80 ADORA3 (0.38)

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-6677456-B2 AS ANTITUMOR COMPOUND; CAN BE ORALLY ADMINISTERED DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-13 US disclosed
US-20020143178-A1 Pentacyclic taxan compound DAIICHI PHARMACEUTICAL CO., LTD. 2002-10-03 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-20020143178-A1 Pentacyclic taxan compound TUBB6, TUBB1, TUBA1A NPSR1 2169/4885HSD11B1 904/4885ALDH1A1 610/4885

“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.