SCHEMBL5873336

SCHEMBL5873336

CCOCN1C(=O)N(COCC)C(=O)C(c2ccccc2)(c2ccccc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.41
CNR1 P21554 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
MITF O75030 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP2C19 P33261 4/20 0.36
ELANE P08246 2/20 0.36
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
CTRC Q99895 1/20 0.35

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
T-2000 SCHEMBL711204 0.83 LMNA (0.69) LMNANPSR1CNR1GPR55BACE1
SCHEMBL14035379 0.79 LMNA (0.63) LMNANPSR1CNR1GPR55BACE1
SCHEMBL13002849 0.76 LMNA (0.46) LMNANPSR1CNR1GPR55MITF
SCHEMBL11734991 0.72 LMNA (0.74) LMNANPSR1MEN1KMT2ATSHR
SCHEMBL11740356 0.71 LMNA (0.68) LMNANPSR1MEN1KMT2ATSHR
Eterobarb SCHEMBL35417 0.70 LMNA (1.00) LMNANPSR1BACE1BACE2MITF
SCHEMBL8183019 0.68 ALDH1A1 (0.49) ALDH1A1
SCHEMBL9841223 0.67 BACE1 (0.46) LMNABACE1BACE2TSHRALDH1A1
SCHEMBL711198 0.67 LMNA (0.52) LMNACNR1GPR55KMT2ATSHR
SCHEMBL9435806 0.66 ALDH1A1 (0.50) LMNANPSR1MITFMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38934-E1 Method and reagents for N-alkylating ureides TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-01-10 US disclosed
US-6906079-B2 Method and reagents for N-alkylating ureides TARO PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2005-06-14 US disclosed
US-20040167358-A1 Method and reagents for N-alkylating ureides GUTMAN DANIELA (IL) 2004-08-26 US disclosed
EP-1027339-B1 METHOD AND REAGENTS FOR N-ALKYLATING UREIDES TARO PHARMA IND (IL) 2004-01-02 EP disclosed
US-6664262-B2 N-methoxymethyl-5,5-diphenylbarbituric acid TARO PHARMACEUTICALS INDUSTRIES LTD. (IL) 2003-12-16 US disclosed
EP-1342718-A1 Method and reagents for n-alkylating ureides TARO PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2003-09-10 EP disclosed
US-20030018080-A1 N-methoxymethyl-5,5-diphenylbarbituric acid TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-01-23 US disclosed
US-6093820-A REACTING AN IMIDE WITH A (SUBSTITUTED)ALKOXYALKYLSULFONIC ACID ESTER TO FORM A N-ALKOXYALKYL IMIDE SUCH AS METHOXYMETHYL ETHOSUXIMIDE; ADMINISTERING AS ANTICONVULSANT, ANTIANXIETY AGENT AND MUSCLE RELAXANT TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2000-07-25 US 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-20030018080-A1 N-methoxymethyl-5,5-diphenylbarbituric acid MGMT, ALKBH3, ALKBH5 LMNA 2679/4885NPSR1 1840/4885CNR1 801/4885
US-20040167358-A1 Method and reagents for N-alkylating ureides MGMT, ETV6, ALKBH3 LMNA 2608/4885NPSR1 1840/4885CNR1 767/4885

“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.