SCHEMBL5324933

SCHEMBL5324933

CC(C)(C)c1cn2c(-c3cccc(Br)c3)csc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
TP53 P04637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
HK1 P19367 1/20 0.40
RAB9A P51151 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
AMY1A P0DUB6 1/20 0.36
TRPA1 O75762 1/20 0.35
IDO1 P14902 1/20 0.35
AHR P35869 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 1/20 0.34
SHMT1 P34896 2/20 0.33
SHMT2 P34897 2/20 0.33
CSNK2A2 P19784 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 SCHEMBL5329353 0.99 CA12 (0.43) CA12CA1CA2CA9TP53
SCHEMBL5331774 0.82 MAPT (0.44) TP53ALDH1A1MAPTHPGDRAB9A
Hydrochloric Acid SCHEMBL5329361 0.81 MAPT (0.44) TP53ALDH1A1MAPTHPGDRAB9A
SCHEMBL5325647 0.79 PDE4D (0.42) CA12CA1CA2CA9TP53
SCHEMBL5325733 0.78 IDO1 (0.47) CA12CA1CA2CA9TP53
Hydrochloric Acid SCHEMBL5329702 0.78 PDE4D (0.42) CA12CA1CA2CA9TP53
Hydrochloric Acid SCHEMBL5331192 0.77 IDO1 (0.46) CA12CA1CA2CA9TP53
SCHEMBL5323440 0.72 CA12 (0.38) CA12CA1CA2CA9TP53
SCHEMBL5324745 0.71 MAPT (0.36) CA12CA1CA2CA9TP53
Hydrochloric Acid SCHEMBL5483902 0.71 CA12 (0.37) CA12CA1CA2CA9TP53

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 7 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
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 CA12 4624/4885CA1 2000/4885CA2 1394/4885

“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.