SCHEMBL5328693

SCHEMBL5328693

Oc1ccc(O)c(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CNR2 P34972 1/20 0.33
PTGS2 P35354 1/20 0.32
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 2/20 0.31
HTT P42858 1/20 0.31

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 SCHEMBL5324675 0.99 CYP19A1 (0.36) CYP19A1ALDH1A1POLBKDM4ELMNA
SCHEMBL5325621 0.92 TYR (0.36) ALDH1A1POLBKDM4ELMNAPKM
Hydrochloric Acid SCHEMBL5326145 0.91 TYR (0.36) ALDH1A1POLBKDM4ELMNAPKM
SCHEMBL8223504 0.88 CYP19A1 (0.32) CYP19A1
SCHEMBL5329717 0.83 MEN1 (0.41) ALDH1A1POLBKDM4ELMNAPKM
Hydrochloric Acid SCHEMBL5329708 0.82 MEN1 (0.40) ALDH1A1POLBKDM4ELMNAPKM
SCHEMBL5328131 0.82 PTGS2 (0.38) ALDH1A1POLBKDM4ELMNAPKM
SCHEMBL8227046 0.82 TYR (0.35)
Hydrochloric Acid SCHEMBL5326648 0.81 PTGS2 (0.37) ALDH1A1POLBKDM4ELMNAPKM
SCHEMBL5326156 0.78 KDM4E (0.46) ALDH1A1POLBKDM4ELMNAPKM

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 CYP19A1 4389/4885ALDH1A1 2824/4885POLB 4715/4885

“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.