SCHEMBL5583353

SCHEMBL5583353

O=C(O)c1ccc2nc(-c3ccc(OC(F)(F)F)cc3)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.65
KDM4E B2RXH2 3/20 0.65
NFKB1 P19838 3/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
LMNA P02545 2/20 0.65
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
GAA P10253 3/20 0.64
ALDH1A1 P00352 2/20 0.64
POLB P06746 2/20 0.64
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
MITF O75030 1/20 0.64
RECQL P46063 1/20 0.64
GFER P55789 1/20 0.64
PAX8 Q06710 1/20 0.64
KLF5 Q13887 1/20 0.64
RORC P51449 1/20 0.54

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
SCHEMBL9797268 0.85 KDM4E (0.88) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL29016645 0.83 DYRK1A (0.48) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL30370368 0.83 DYRK1A (0.48) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL3919868 0.83 KDM4E (0.70) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL2091539 0.83 RORC (0.57) SMN1; SMN2KDM4ENFKB1LMNANPC1
SCHEMBL31530286 0.81 KDM4E (0.64) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL5583477 0.81 HSD17B10 (0.61) DYRK1AHSD17B10HDAC6CSNK1DHDAC3
SCHEMBL22389483 0.81 RORC (0.72) SMN1; SMN2KDM4ENFKB1LMNANPC1
SCHEMBL210703 0.80 HDAC1 (0.53) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL19900645 0.80 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ENFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 EP disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 SMN1; SMN2 3557/4885KDM4E 258/4885NFKB1 1147/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 SMN1; SMN2 2705/4885KDM4E 337/4885NFKB1 1080/4885

“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.