SCHEMBL5937166

SCHEMBL5937166

CC(C)c1ccc(-c2ccccc2C(=O)Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.49
SLC6A4 P31645 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
DHODH Q02127 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
BCAT2 O15382 1/20 0.42
KLRK1 P26718 1/20 0.41

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
SCHEMBL9864612 0.86 MEN1 (0.50) SLC6A3SLC6A4MEN1KMT2AUSP2
SCHEMBL4741406 0.84 DHODH (0.56) MEN1KMT2AUSP2LMNAMAPT
Hydrochloric Acid SCHEMBL5937171 0.83 DHODH (0.55) MEN1KMT2AUSP2LMNAMAPT
SCHEMBL2563193 0.83 BCAT2 (0.65) SLC6A3SLC6A4MEN1KMT2AUSP2
SCHEMBL28640320 0.82 SLC6A3 (0.64) SLC6A3SLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL1580001 0.80 SLC6A3 (0.49) SLC6A3SLC6A4MEN1KMT2ALMNA
SCHEMBL30436191 0.80 SLC6A3 (0.49) SLC6A3SLC6A4MEN1KMT2ALMNA
SCHEMBL6797969 0.80 SLC6A3 (0.71) SLC6A3SLC6A4MEN1KMT2AUSP2
SCHEMBL29978969 0.80 SLC6A3 (0.71) SLC6A3SLC6A4MEN1KMT2AUSP2
SCHEMBL18825620 0.80 BCAT2 (0.59) SLC6A3SLC6A4MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058372-A1 N-Benzodioxolyl, n-benzodioxanyl and n-benzodioxepinyl arylcarboxamide derivatives and pharmaceutical compositions comprising them MERCK PATENT GMBH (DE) 2006-03-16 US disclosed
EP-1554263-A1 N-BENZODIOXOLYL, N-BENZODIOXANYL AND N-BENZODIOXEPINYL ARYLCARBONXAMIDE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GmbH (DE) 2005-07-20 EP disclosed
WO-2004037806-A1 N-BENZODIOXOLYL, N-BENZODIOXANYL AND N-BENZODIOXEPINYL ARYLCARBONXAMIDE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2004-05-06 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-20060058372-A1 N-Benzodioxolyl, n-benzodioxanyl and n-benzodioxepinyl arylcarboxamide derivatives and pharmaceutical compositions comprising them TBXAS1, PCSK9, APOB SLC6A3 2917/4885SLC6A4 2127/4885MEN1 4449/4885

“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.