SCHEMBL6864158

SCHEMBL6864158

CCOC(=O)NC(=O)C1c2ccccc2Sc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL6865475 0.87 BCHE (0.49) BCHEMAPTALDH1A1GAAMEN1
SCHEMBL6866118 0.80 POLB (0.67) MAPTMEN1KMT2APOLBTP53
SCHEMBL11189934 0.74 KDM4E (0.47) BCHEMAPTALDH1A1GAAMEN1
SCHEMBL9246765 0.70 BCHE (0.47) BCHEMAPTALDH1A1GAAMEN1
Hydrochloric Acid SCHEMBL9244137 0.69 BCHE (0.46) BCHEMAPTALDH1A1GAAMEN1
SCHEMBL27503672 0.69 GRM1 (0.45) BCHEALDH1A1GAANOX1
SCHEMBL30969946 0.68 KMT2A (0.62) MAPTALDH1A1MEN1LMNAALOX15
SCHEMBL3727778 0.68 KMT2A (0.62) MAPTALDH1A1MEN1LMNAALOX15
SCHEMBL5756547 0.67 GRM1 (0.51) BCHEALDH1A1GAAMEN1LMNA
SCHEMBL4047050 0.66 SMN1; SMN2 (0.59) MAPTALDH1A1GAAMEN1LMNA

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-6803381-B1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS, ACTING AS ANTAGONISTS OR AGONISTS HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
US-6596743-B2 Control or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-07-22 US disclosed
US-6462198-B1 USED IN THE CONTROL OR PREVENTION OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES, HEAD INJURIES, HYPOXIA, HOFFMANN-LA ROCHE INC. 2002-10-08 US disclosed
US-20020091150-A1 Carbamic acid derivatives BLEICHER KONRAD (DE) 2002-07-11 US disclosed
EP-1171423-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP disclosed
WO-2000063166-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 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-20020091150-A1 Carbamic acid derivatives CHRM1, CHRNA2, CHRM2 BCHE 142/4885MAPT 622/4885ALDH1A1 296/4885

“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.