SCHEMBL13440869

SCHEMBL13440869

O=c1oc2c(c(O)c1Sc1ccccc1)c(=O)oc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 5/20 0.54
CYP3A4 P08684 4/20 0.54
HSD17B10 Q99714 4/20 0.54
RECQL P46063 4/20 0.54
PKM P14618 3/20 0.54
HPGD P15428 3/20 0.53
BLM P54132 3/20 0.53
GAA P10253 2/20 0.53
ALPI P09923 1/20 0.53
CASP3 P42574 1/20 0.53
CASP7 P55210 1/20 0.53
CASP6 P55212 1/20 0.53
MCL1 Q07820 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 5/20 0.51
TP53 P04637 2/20 0.51
ALOX12 P18054 1/20 0.51

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
SCHEMBL13440874 0.87 KDM4E (0.47) KDM4EMEN1KMT2AMAPTCYP3A4
SCHEMBL10985533 0.86 KDM4E (0.54) KDM4EMEN1KMT2AMAPTCYP3A4
SCHEMBL13442671 0.80 KDM4E (0.38) KDM4EMEN1KMT2AMAPTCYP3A4
SCHEMBL13440872 0.78 KDM4E (0.43) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL13440885 0.76 KDM4E (0.63) KDM4EMEN1KMT2AMAPTCYP3A4
SCHEMBL13442674 0.76 KDM4E (0.42) KDM4EMEN1KMT2AMAPTCYP3A4
SCHEMBL13440539 0.75 ALDH1A1 (0.57) KDM4EMEN1KMT2ACYP3A4HSD17B10
SCHEMBL28202675 0.75 KDM4E (0.56) KDM4EMEN1KMT2AMAPTCYP3A4
SCHEMBL28202633 0.75 NQO1 (0.56) KDM4EMEN1KMT2AMAPTCYP3A4
SCHEMBL13441014 0.74 CYP1A2 (0.58) KDM4EMEN1KMT2AMAPTCYP3A4

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 2676/4885MEN1 4179/4885KMT2A 2284/4885

“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.