SCHEMBL6006450

SCHEMBL6006450

CC(NC(=O)c1ccccc1)O[C]=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
SLC1A2 P43004 1/20 0.44
MLYCD O95822 1/20 0.44
PRSS1 P07477 1/20 0.43
CTSG P08311 1/20 0.43

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
SCHEMBL31575774 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDRAB9AKDM4E
SCHEMBL29772431 0.79 MLYCD (0.58) ALDH1A1SMN1; SMN2HPGDRAB9AKDM4E
SCHEMBL24998749 0.79 MLYCD (0.58) ALDH1A1SMN1; SMN2HPGDRAB9AKDM4E
SCHEMBL155518 0.79 MLYCD (0.58) ALDH1A1SMN1; SMN2HPGDRAB9AKDM4E
SCHEMBL7522945 0.77 MLYCD (0.56) ALDH1A1SMN1; SMN2HPGDRAB9AKDM4E
Hydrochloric Acid SCHEMBL28544859 0.77 MLYCD (0.56) ALDH1A1SMN1; SMN2HPGDRAB9AKDM4E
Hydrochloric Acid SCHEMBL7849680 0.77 MLYCD (0.56) ALDH1A1SMN1; SMN2HPGDRAB9AKDM4E
SCHEMBL29171758 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDRAB9AKDM4E
SCHEMBL3096849 0.77 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2HPGDRAB9AKDM4E
SCHEMBL948159 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDRAB9ACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 ALDH1A1 228/4885SMN1; SMN2 4010/4885HPGD 739/4885

“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.