SCHEMBL6927013

SCHEMBL6927013

OC[C@H](O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
CFTR P13569 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GOPC Q9HD26 1/20 0.50
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.47
CYP17A1 P05093 1/20 0.47
TSHR P16473 1/20 0.47
KCNA5 P22460 3/20 0.45
KCNH2 Q12809 2/20 0.45
CYP19A1 P11511 1/20 0.44
IDO1 P14902 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TBXAS1 P24557 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 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
SCHEMBL25233552 1.00 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL30463137 1.00 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6372735 1.00 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6920534 0.98 SMN1; SMN2 (0.55) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6688190 0.90 SMN1; SMN2 (0.55) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4125276 0.84 SMN1; SMN2 (0.53) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6075149 0.83 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6074090 0.83 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6074158 0.83 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL1609153 0.83 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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-6642387-B2 Dehalogenation esterification; efficient; no toxic materials KANEKA CORPORATION (JP) 2003-11-04 US disclosed
US-20030130521-A1 Substituted acetylpyridine derivatives and process for the preparation of intermediates for optically active beta3 agonist by the use of the same KANEKA CORPORATION (JP) 2003-07-10 US disclosed
US-6515134-B1 A production method of an optically active hydroxyethyl pyridine derivative represented by the general formula which comprises using a microorganism-derived carbonyl reducing enzyme or a culture of a microorganism having an ability of KANEKA CORPORATION (JP) 2003-02-04 US disclosed
EP-1153919-A1 SUBSTITUTED ACETYLPYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR OPTICALLY ACTIVE BETA3 AGONIST BY THE USE OF THE SAME KANEKA CORPORATION (JP) 2001-11-14 EP 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-20030130521-A1 Substituted acetylpyridine derivatives and process for the preparation of intermediates for optically active beta3 agonist by the use of the same ADRB3, ADRB2, ADRB1 SMN1; SMN2 4103/4885CFTR 3519/4885SLC6A2 2441/4885

“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.