SCHEMBL6865475

SCHEMBL6865475

CCCCOC(=O)NC(=O)C1c2ccccc2Sc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
ALDH1A1 P00352 4/20 0.42
NFKB1 P19838 1/20 0.42
STAT1 P42224 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL3727778 0.82 KMT2A (0.62) SMN1; SMN2TSHRL3MBTL1NPC1ALDH1A1
SCHEMBL30969946 0.82 KMT2A (0.62) SMN1; SMN2TSHRL3MBTL1NPC1ALDH1A1
SCHEMBL11175878 0.68 KMT2A (0.58) BCHESMN1; SMN2CYP2C19TSHRNPC1
SCHEMBL590532 0.68 EPHX1 (0.59) TSHRRAB9AALDH1A1MAPTHPGD
SCHEMBL6866118 0.68 POLB (0.67) L3MBTL1RAB9ANPC1KMT2AMAPT
SCHEMBL2323640 0.67 RAB9A (0.55) SMN1; SMN2CYP1A2CYP2C19L3MBTL1RAB9A
SCHEMBL3629004 0.67 EPHX1 (0.46) SMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL11854030 0.66 ALDH1A1 (0.62) SMN1; SMN2CYP1A2CYP2C19TSHRTDP1
SCHEMBL6864168 0.66 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2C19TSHRTDP1
SCHEMBL5322071 0.66 RAB9A (0.50) SMN1; SMN2CYP1A2CYP2C19TSHRTDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020091150-A1 Carbamic acid derivatives BLEICHER KONRAD (DE) 2002-07-11 US claimed
EP-1171423-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP claimed
WO-2000063166-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 WO claimed
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 142/4885SMN1; SMN2 100/4885CYP1A2 808/4885

“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.