SCHEMBL5328131

SCHEMBL5328131

Oc1cccc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
KDM1A O60341 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
FAAH O00519 1/20 0.34
FYN P06241 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
EPHX2 P34913 1/20 0.33

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 SCHEMBL5326648 0.99 PTGS2 (0.37) PTGS2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14340786 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL5331736 0.87 SMN1; SMN2 (0.39) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL5323440 0.87 CA12 (0.38) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL5330842 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL5332643 0.86 CHEK1 (0.38) ALDH1A1KDM4EMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5325657 0.86 SMN1; SMN2 (0.38) ALDH1A1KDM4EMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5331189 0.86 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5483902 0.86 CA12 (0.37) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL5329717 0.85 MEN1 (0.41) ALDH1A1KDM4EMEN1KMT2APOLB

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 PTGS2 753/4885ALDH1A1 2824/4885KDM4E 1726/4885

“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.