SCHEMBL6864141

SCHEMBL6864141

O=C(Cl)c1cccc2c1Cc1ccccc1O2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
P2RX4 Q99571 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
ACSL1 P33121 1/20 0.36
ALOX5 P09917 1/20 0.36
TRPA1 O75762 2/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSP90AA1 P07900 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
SCHEMBL11142603 0.88 MAOA (0.47) MAOAMAOBALDH1A1ALOX15P2RX4
SCHEMBL27578116 0.87 MAOA (0.53) MAOAMAOBMAPKAPK2ACSL1ALOX5
SCHEMBL8198726 0.85 MAOA (0.52) MAOAMAOBALDH1A1ALOX15MAPKAPK2
SCHEMBL5692 0.85 MAOA (0.52) MAOAMAOBALDH1A1ALOX15MAPKAPK2
SCHEMBL6404019 0.84 MAOA (0.50) MAOAMAOBALDH1A1MAPKAPK2ACSL1
SCHEMBL7554503 0.84 TRPA1 (0.50) MAOAMAOBALDH1A1MAPKAPK2TRPA1
Hydrochloric Acid SCHEMBL6864147 0.84 MAOA (0.50) MAOAMAOBALDH1A1ALOX15MAPKAPK2
Ammonia Solution, Strong SCHEMBL7709867 0.84 MAOA (0.50) MAOAMAOBALDH1A1ALOX15MAPKAPK2
SCHEMBL729661 0.83 MAOA (0.48) MAOAMAOBALDH1A1MAPKAPK2ACSL1
SCHEMBL7613593 0.83 MAOA (0.48) MAOAMAOBALDH1A1MAPKAPK2ACSL1

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 MAOA 590/4885MAOB 272/4885ALDH1A1 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.