SCHEMBL2184736

SCHEMBL2184736

O=C(CNC(=O)OCI)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
TPSAB1 Q15661 1/20 0.50
TPSD1 Q9BZJ3 1/20 0.50
TPSG1 Q9NRR2 1/20 0.50
GLA P06280 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ABCC3 O15438 1/20 0.48
NR1I2 O75469 1/20 0.48
ABCB11 O95342 1/20 0.48

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
SCHEMBL10081124 0.90 LMNA (0.63) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL4073528 0.84 TPSAB1 (0.53) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL6900428 0.84 PPID (0.60) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL2224146 0.83 L3MBTL1 (0.54) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL10641387 0.82 LMNA (0.61) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL15271773 0.82 LMNA (0.54) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL12516501 0.82 LMNA (0.54) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL18171769 0.82 PPID (0.64) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL10068188 0.82 ALDH1A1 (0.61) L3MBTL1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL3231538 0.81 PPID (0.64) L3MBTL1ALDH1A1MAPK1LMNASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521711-B1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES PHARMA IRELAND LTD (IE) 2017-08-16 EP disclosed
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
EP-2521711-A1 QUATERNARY AMMONIUM SALT PRODRUGS Alkermes, Inc. (US) 2012-11-14 EP disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
WO-2011084849-A1 DIARYLDIAZEPINE PRODRUGS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2011084846-A1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES, INC. (US) 2011-07-14 WO disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 US disclosed
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 US disclosed
EP-2039681-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP 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 (3 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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 L3MBTL1 3274/4885ALDH1A1 74/4885MAPK1 3271/4885
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME SQLE, FDFT1, PTGIS L3MBTL1 4845/4885ALDH1A1 572/4885MAPK1 2964/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B L3MBTL1 2682/4885ALDH1A1 760/4885MAPK1 3028/4885

“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.