SCHEMBL6921056

SCHEMBL6921056

CC(O)(O)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
AHR P35869 2/20 0.45
CHRM2 P08172 1/20 0.41
BLM P54132 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
METAP1 P53582 1/20 0.40
HIF1A Q16665 1/20 0.40
DOHH Q9BU89 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM3 P20309 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL946635 0.86 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL4388586 0.86 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL29965849 0.86 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL12717303 0.86 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL27997203 0.84 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL16230664 0.82 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL10442032 0.82 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL21742008 0.82 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL16231361 0.80 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL4270539 0.80 L3MBTL1 (0.73) SMN1; SMN2L3MBTL1AHRBLMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117368160-A Method for verifying iron death in neurodegenerative diseases and application of method 西南医科大学 2024-01-09 CN claimed
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 claimed
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 claimed
EP-0435127-A2 3-Substituted pyridines BASF Aktiengesellschaft (DE) 1991-07-03 EP claimed
US-6642387-B2 Dehalogenation esterification; efficient; no toxic materials KANEKA CORPORATION (JP) 2003-11-04 US disclosed
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-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
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-A4 SUBSTITUTED ACETYLPYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR OPTICALLY ACTIVE BETA3 AGONIST BY THE USE OF THE SAME KANEKA CORP (JP) 2002-10-02 EP 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
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
WO-2000048997-A1 SUBSTITUTED ACETYLPYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR OPTICALLY ACTIVE β3 AGONIST BY THE USE OF THE SAME KANEKA CORPORATION (JP) 2000-08-24 WO disclosed
US-5194441-A Fungicides BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 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-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 4103/4885L3MBTL1 4709/4885AHR 1435/4885

“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.