SCHEMBL5334949

SCHEMBL5334949

Cc1cc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c(C)s1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 5/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GPR55 Q9Y2T6 1/20 0.34
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
PLA2G10 O15496 1/20 0.32
HTR6 P50406 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 SCHEMBL5328104 0.99 KDM4E (0.38) KDM4EALDH1A1POLBLMNAPKM
SCHEMBL8227698 0.87
SCHEMBL5325707 0.81 KDM4E (0.38) KDM4EALDH1A1POLBLMNAPKM
SCHEMBL5326156 0.81 KDM4E (0.46) KDM4EALDH1A1POLBLMNAPKM
SCHEMBL5330102 0.81 KDM4E (0.46) KDM4EALDH1A1POLBLMNAPKM
Hydrochloric Acid SCHEMBL5331813 0.80 KDM4E (0.45) KDM4EALDH1A1POLBLMNAPKM
Hydrochloric Acid SCHEMBL5329721 0.80 KDM4E (0.37) KDM4EALDH1A1POLBLMNAPKM
Hydrochloric Acid SCHEMBL5331843 0.80 KDM4E (0.45) KDM4EALDH1A1POLBLMNAPKM
SCHEMBL5329753 0.79 KDM4E (0.43) KDM4EALDH1A1POLBLMNAPKM
SCHEMBL5332666 0.79 KDM4E (0.44) KDM4EALDH1A1POLBLMNAPKM

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 KDM4E 1726/4885ALDH1A1 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.