SCHEMBL5324993

SCHEMBL5324993

COC(=O)c1cccc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HIF1A Q16665 5/20 0.40
PDE4D Q08499 3/20 0.40
EPAS1 Q99814 1/20 0.40
MDH1 P40925 1/20 0.40
MDH2 P40926 1/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE7A Q13946 2/20 0.37
PDE4B Q07343 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX1 P07099 1/20 0.37

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
Hydrochloric Acid SCHEMBL5324988 0.99 EPHX2 (0.41) EPHX2ALDH1A1MAPTHPGDNPSR1
SCHEMBL8227431 0.89 PDE4D (0.38) EPHX2ALDH1A1MAPTHPGDNPSR1
SCHEMBL5324991 0.84 ALDH1A1 (0.44) EPHX2ALDH1A1MAPTHPGDNPSR1
Hydrochloric Acid SCHEMBL5331829 0.83 ALDH1A1 (0.43) EPHX2ALDH1A1MAPTHPGDNPSR1
SCHEMBL5331181 0.83 NPC1 (0.41) ALDH1A1MAPTSMN1; SMN2NPC1POLB
SCHEMBL5330105 0.83 EPHX2 (0.41) EPHX2ALDH1A1MAPTLMNAHTT
SCHEMBL5328131 0.83 PTGS2 (0.38) EPHX2ALDH1A1LMNAKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5331732 0.82 EPHX2 (0.40) EPHX2ALDH1A1MAPTPDE4DLMNA
Hydrochloric Acid SCHEMBL5326094 0.82 NPC1 (0.41) ALDH1A1MAPTSMN1; SMN2NPC1POLB
Hydrochloric Acid SCHEMBL5326648 0.82 PTGS2 (0.37) ALDH1A1MAPTNPSR1LMNAKMT2A

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
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 US claimed
WO-2007148113-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 WO claimed
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 US disclosed
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 US disclosed
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 US disclosed
WO-2007148113-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 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-20070299113-A1 Metabotropic glutamate receptor modulators GRM1, GRM2, GRM3 EPHX2 3181/4885ALDH1A1 2824/4885MAPT 794/4885

“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.