SCHEMBL5329340

SCHEMBL5329340

c1cncc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
GBA1 P04062 1/20 0.36
CYP19A1 P11511 4/20 0.35
CYP17A1 P05093 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GPR55 Q9Y2T6 1/20 0.34
AXL P30530 1/20 0.34
PBRM1 Q86U86 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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 SCHEMBL5331643 0.99 TSHR (0.44) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL14340786 0.88 ALDH1A1 (0.46) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL5333187 0.88 SMN1; SMN2 (0.42) ALDH1A1KDM4EMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL5328155 0.87 SMN1; SMN2 (0.41) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5329665 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5332666 0.81 KDM4E (0.44) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5323440 0.81 CA12 (0.38) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5328131 0.81 PTGS2 (0.38) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5325715 0.81 SMN1; SMN2 (0.39) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5330842 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2ALMNA

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 TSHR 463/4885ALDH1A1 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.