SCHEMBL13440872

SCHEMBL13440872

O=c1oc2c(c(O)c1Sc1ccccc1)c(=O)[nH]c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
IDE P14735 1/20 0.43
MPI P34949 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41
TUBA1A Q71U36 3/20 0.41
TUBA1C Q9BQE3 3/20 0.41
TUBB6 Q9BUF5 3/20 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
SCHEMBL13440882 0.88 TYMS (0.41) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL13440880 0.85 L3MBTL1 (0.45) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL13440871 0.85 TUBB4A (0.50) KDM4EALDH1A1MAPTTUBB4ATUBB
SCHEMBL13442175 0.84 MMP2 (0.36) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13440883 0.82 KDM4E (0.41) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL13440879 0.81 TUBB4A (0.47) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL13440869 0.78 KDM4E (0.54) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13440866 0.78 KDM4E (0.49) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL13440885 0.73 KDM4E (0.63) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13442173 0.73 TYMS (0.39) KDM4EKMT2AGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069380-A1 HETEROCYCLIC INHIBITORS OF BACTERIAL PEPTIDYL TRNA HYDROLASE AND USES THEREOF PTC THERAPEUTICS, INC. 2010-03-18 US disclosed
US-20100069380-A1 HETEROCYCLIC INHIBITORS OF BACTERIAL PEPTIDYL TRNA HYDROLASE AND USES THEREOF PTC THERAPEUTICS, INC. 2010-03-18 US disclosed
WO-2008127274-A2 HETEROCYCLIC INHIBITORS OF BACTERIAL PEPTIDYL TRNA HYDROLASE AND USES THEREOF PTC THERAPEUTICS, INC. (US) 2008-10-23 WO 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-20100069380-A1 HETEROCYCLIC INHIBITORS OF BACTERIAL PEPTIDYL TRNA HYDROLASE AND USES THEREOF NSUN3, TARBP1, TRMT1 KDM4E 2676/4885ALDH1A1 3494/4885MAPT 4433/4885

“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.