SCHEMBL2295261

SCHEMBL2295261

COc1ccc2c(c1)-c1c(c3ccccc3n1C)C2[Si](C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.48
L3MBTL1 Q9Y468 7/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
FGFR1 P11362 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL12382609 1.00 NTRK1 (0.48) NTRK1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL12422969 0.85 MAOA (0.39) NTRK1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL2293889 0.85 MAOA (0.39) NTRK1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL2297131 0.82 ATM (0.42) NTRK1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL12382614 0.82 ATM (0.42) NTRK1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL12422981 0.82 MAOA (0.37) NTRK1KDM4EALDH1A1MAPTHPGD
SCHEMBL2295960 0.82 MAOA (0.37) NTRK1KDM4EALDH1A1MAPTHPGD
SCHEMBL7118279 0.73 NTRK1 (0.40) NTRK1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL7128822 0.71 NTRK1 (0.38) NTRK1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL12382598 0.71 MEN1 (0.35) NTRK1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703936-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-22 US disclosed
US-20140045207-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-13 US disclosed
US-8519122-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-27 US disclosed
US-20110207147-A1 Compositions and Methods for Modification of Biomolecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-25 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-20110207147-A1 Compositions and Methods for Modification of Biomolecules PTMS, APEX1, ALG1 NTRK1 3802/4885L3MBTL1 2384/4885KDM4E 2378/4885

“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.