SCHEMBL1700747

SCHEMBL1700747

O=C(O)C(CS)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
MAPT P10636 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
GAA P10253 2/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 9/20 0.47
RECQL P46063 1/20 0.47
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HCAR3 P49019 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1700749 1.00 CRHBP (0.53) CRHBPCRHR2MAPTTDP1GAA
SCHEMBL7997158 0.88 CRHBP (0.54) CRHBPCRHR2MAPTTDP1GAA
SCHEMBL9509221 0.88 CRHBP (0.54) CRHBPCRHR2MAPTTDP1GAA
SCHEMBL6715106 0.87 CRHBP (0.48) CRHBPCRHR2MAPTTDP1GAA
SCHEMBL6715102 0.87 CRHBP (0.48) CRHBPCRHR2MAPTTDP1GAA
SCHEMBL4301791 0.86 CRHBP (0.56) CRHBPCRHR2MAPTTDP1GAA
SCHEMBL21728986 0.86 CRHBP (0.53) CRHBPCRHR2MAPTTDP1GAA
SCHEMBL8742128 0.86 CRHBP (0.56) CRHBPCRHR2MAPTTDP1GAA
SCHEMBL6715110 0.86 CRHBP (0.47) CRHBPCRHR2MAPTTDP1GAA
SCHEMBL6129749 0.84 CRHBP (0.57) CRHBPCRHR2MAPTTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61003066-A None JP disclosed
WO-2018200498-A1 COMPOSITIONS AND METHODS FOR ANALYZING CYSTEINE GEORGETOWN UNIVERSITY (US) 2018-11-01 WO disclosed
EP-2566335-B1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM MACROMOLECULAR CONJUGATES PROLYNX LLC (US) 2016-06-29 EP disclosed
CN-103025165-B From the controlled release of macromolecular conjugates 普罗林科斯有限责任公司 2016-06-08 CN disclosed
US-8754190-B2 Controlled release from macromolecular conjugates PROLYNX LLC (US) 2014-06-17 US disclosed
US-20130116407-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES PROLYNX LLC 2013-05-09 US disclosed
CN-103025165-A Controlled release from macromolecular conjugates PROLYNX LLC 2013-04-03 CN disclosed
EP-2566335-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES Prolynx Llc (US) 2013-03-13 EP disclosed
WO-2011140393-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES PROLYNX LLC (US) 2011-11-10 WO disclosed
EP-0115171-B1 CONJUGATE HAVING CYTOTOXICITY AND PROCESS FOR THE PREPARATION THEREOF TEIJIN LIMITED (JP) 1990-04-18 EP disclosed
JP-S613066-A ASSAY OF THIOL GROUP REACTING GROUP TEIJIN LTD 1986-01-09 JP disclosed
US-4507234-A Conjugate having cytotoxicity and process for the preparation thereof TEIJIN LIMITED (JP) 1985-03-26 US disclosed
EP-0115171-A2 Conjugate having cytotoxicity and process for the preparation thereof TEIJIN LIMITED (JP) 1984-08-08 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 (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-20130116407-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES ABCB1, ABCB11, GUSB CRHBP 355/4885CRHR2 312/4885MAPT 728/4885

“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.