SCHEMBL5657811

SCHEMBL5657811

CCOc1ccccc1NC(=O)OCCBr

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
KMT2A Q03164 3/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 2/20 0.52
MCL1 Q07820 1/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
EGFR P00533 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
PTK2 Q05397 1/20 0.50

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
SCHEMBL6961028 0.88 GAA (0.63) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL9869942 0.86 GAA (0.69) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL5655786 0.85 KMT2A (0.67) KMT2AL3MBTL1LMNAPOLBSMN1; SMN2
SCHEMBL10895253 0.82 GAA (0.71) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL14027684 0.79 TDP1 (0.67) GAAL3MBTL1ALDH1A1
SCHEMBL6424910 0.79 GAA (0.77) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL29832117 0.79 GAA (0.77) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL9297476 0.78 KMT2A (0.75) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL8110954 0.78 GAA (0.75) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL14027686 0.77 ALDH1A1 (0.54) GAALMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238693-B2 Aryl carbamate derivatives, preparation and use thereof CEREP (FR) 2007-07-03 US disclosed
US-20050267126-A1 Compounds derived from aryl carbamates, preparation thereof and uses of same CEREP (FR) 2005-12-01 US disclosed
US-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof CEREP (FR) 2004-03-25 US disclosed
EP-1362041-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF Cerep (FR) 2003-11-19 EP disclosed
WO-2002068399-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF CEREP (FR) 2002-09-06 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 (2 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-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof HTR4, HTR5A, HTR3C GAA 1883/4885KMT2A 2124/4885CYP2C19 64/4885
US-20050267126-A1 Compounds derived from aryl carbamates, preparation thereof and uses of same HTR4, HTR2B, HTR1B GAA 2289/4885KMT2A 1571/4885CYP2C19 131/4885

“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.