SCHEMBL3108319

SCHEMBL3108319

NC(=O)c1cccn(O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
METAP2 P50579 1/20 0.41
ADRA1D P25100 1/20 0.40
BCAT2 O15382 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PARP1 P09874 4/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
CTNNB1 P35222 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL9614829 0.82 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL7828749 0.81 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL17597735 0.79 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL17595031 0.79 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL1396731 0.73 MAPK1 (0.58) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL22234491 0.73 PTGS2 (0.53) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3334681 0.73 IRAK4 (0.46) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3112903 0.73
Trifluoroacetic Acid SCHEMBL17595022 0.72 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL22497977 0.72 TYK2 (0.45) KDM4EALDH1A1SMN1; SMN2PARP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
EP-2089365-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-08-19 EP disclosed
US-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-01 US disclosed
WO-2008045668-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-17 WO disclosed
EP-0397409-B1 THE STABILIZATION OF ORGANIC COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1993-07-21 EP disclosed
US-5185319-A STABILIZATION OF ORGANIC COMPOUNDS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1993-02-09 US disclosed
EP-0397409-A1 The stabilization of organic compounds BTG INTERNATIONAL LIMITED (GB) 1990-11-14 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 (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-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 KDM4E 1117/4885ALDH1A1 530/4885SMN1; SMN2 1626/4885
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 KDM4E 1117/4885ALDH1A1 530/4885SMN1; SMN2 1626/4885

“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.