SCHEMBL12237288

SCHEMBL12237288

O=C(OCCc1ccc([N+](=O)[O-])cc1)ON1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
TSHR P16473 1/20 0.44
KCNH2 Q12809 6/20 0.43
KCNJ1 P48048 5/20 0.43
ATM Q13315 1/20 0.43
PARL Q9H300 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
EPHX1 P07099 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL2531926 0.87 HTR2A (0.49) ATMPARLTDP1
SCHEMBL291412 0.82 TSHR (0.59) TSHRKCNH2KCNJ1HRH3EPHX1
SCHEMBL6168143 0.81 HCAR2 (0.45) CHRM5CHRM1TSHRTDP1
SCHEMBL1578918 0.80 ALDH1A1 (0.48) KCNH2KCNJ1PARLTDP1
SCHEMBL11932224 0.79 HTR2A (0.45) ATMTDP1
SCHEMBL1221102 0.77 GAA (0.48) PARLTDP1
SCHEMBL1276349 0.76 TSHR (0.53) TSHRKCNH2KCNJ1EPHX1
SCHEMBL9223114 0.75 HTR2A (0.60) TSHRKCNH2
SCHEMBL291413 0.74 TSHR (0.58) CHRM5CHRM1TSHRKCNH2KCNJ1
SCHEMBL3735204 0.74 SMN1; SMN2 (0.55) TSHRPARLTDP1

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-9387254-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX LLC (US) 2016-07-12 US disclosed
US-9387254-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX LLC (US) 2016-07-12 US disclosed
US-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC 2014-10-02 US disclosed
US-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC 2014-10-02 US disclosed
US-8680315-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX, LLC (US) 2014-03-25 US disclosed
US-8680315-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX, LLC (US) 2014-03-25 US disclosed
US-20110263502-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX, LLC 2011-10-27 US disclosed
US-20110263502-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX, LLC 2011-10-27 US disclosed
WO-2009158668-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2009-12-30 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-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES ABCB1, ABCB11, DNPEP CHRM5 1503/4885CHRM1 2203/4885TSHR 1713/4885
US-20110263502-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES ABCB1, ABCB11, DNPEP CHRM5 1503/4885CHRM1 2203/4885TSHR 1713/4885

“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.