SCHEMBL6924749

SCHEMBL6924749

CC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
NPC1 O15118 8/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRIN2B Q13224 1/20 0.48
HCAR3 P49019 1/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTK2 Q05397 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL6926972 0.85 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2L3MBTL1HPGD
SCHEMBL16841480 0.81 RAB9A (0.57) RAB9AL3MBTL1HPGDMAPTKMT2A
SCHEMBL6920233 0.81 PTK2 (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL16463469 0.76 PTK2 (0.56) RAB9ANPC1SMN1; SMN2MAPTGRIN2B
SCHEMBL6923544 0.76 PTK2 (0.56) RAB9AMAPTKMT2AGRIN2BHCAR3
SCHEMBL6576391 0.75 ALDH1A1 (0.58) RAB9ASMN1; SMN2MAPTGRIN2BHCAR3
SCHEMBL1203341 0.75 PTK2 (0.54) KMT2AGRIN2BHCAR3GAAPTK2
SCHEMBL1854705 0.74 MAPK1 (0.59) RAB9ANPC1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL82675 0.74 HCAR3 (0.68) KMT2AHCAR3GAAPTK2
SCHEMBL16463731 0.74 PTK2 (0.53) RAB9ANPC1SMN1; SMN2GRIN2BHCAR3

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 RAB9A 1738/4885NPC1 3524/4885SMN1; SMN2 4103/4885

“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.