SCHEMBL1807959

SCHEMBL1807959

C(=NCCN1CCOCC1)=NC1CCCCC1.CCc1ccc(OS(=O)(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.36
FKBP1A P62942 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
EPHX2 P34913 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL335423 0.89 CYP1A2 (0.63) CYP1A2CYP2C9ALDH1A1KDM4ERAB9A
SCHEMBL10516211 0.84 CYP1A2 (0.58) CYP1A2CYP2C9ALDH1A1KDM4EMAPT
SCHEMBL1162273 0.83 FKBP1A (0.41) CYP1A2ALDH1A1KDM4ERAB9AMAPT
SCHEMBL19433083 0.83 CYP1A2 (0.59) CYP1A2CYP2C9KDM4ESMN1; SMN2APOBEC3A
Ethylbenzene SCHEMBL7167647 0.82 CYP1A2 (0.71) CYP1A2CYP2C9ALDH1A1KDM4EMAPT
P-Xylene SCHEMBL3752326 0.81 CYP1A2 (0.70) CYP1A2CYP2C9ALDH1A1SMN1; SMN2HTT
SCHEMBL2729317 0.81 CYP1A2 (0.80) CYP1A2CYP2C9ALDH1A1KDM4EGAA
Sulfuric Acid SCHEMBL31183034 0.81 CYP1A2 (0.84) CYP1A2CYP2C9ALDH1A1KDM4EGAA
SCHEMBL7072020 0.81 CYP1A2 (0.59) CYP1A2CYP2C9ALDH1A1RAB9AMAPT
SCHEMBL10387619 0.80 CYP1A2 (0.61) CYP1A2CYP2C9ALDH1A1PDE4DPDE7A

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
EP-2462439-B1 STABILIZED OPEN FORM TRANSGLUTAMINASE AS A DIAGNOSTIC INDICATOR FOR AUTOIMMUNE DISEASES ZEDIRA GMBH (DE) 2016-08-10 EP disclosed
EP-2461847-B1 DEVICE FOR ELIMINATING BIOLOGICALLY HARMFUL SUBSTANCES FROM BODILY FLUIDS HEMOTEQ AG (DE) 2015-05-27 EP disclosed
US-8808980-B2 Stabilized open form transglutaminase as a diagnostic indictor for autoimmune diseases ZEDIRA GMBH (DE) 2014-08-19 US disclosed
US-20120315262-A1 STABILIZED OPEN FORM TRANSGLUTAMINASE AS A DIAGNOSTIC INDICTOR FOR AUTOIMMUNE DISEASES ZEDIRA GMBH (DE) 2012-12-13 US disclosed
EP-2462439-A1 STABILIZED OPEN FORM TRANSGLUTAMINASE AS A DIAGNOSTIC INDICATOR FOR AUTOIMMUNE DISEASES Zedira GmbH (DE) 2012-06-13 EP disclosed
EP-2461847-A1 DEVICE AND METHOD FOR ELIMINATING BIOLOGICALLY HARMFUL SUBSTANCES FROM BODILY FLUIDS Hemoteq AG (DE) 2012-06-13 EP disclosed
WO-2011057826-A1 STABILIZED OPEN FORM TRANSGLUTAMINASE AS A DIAGNOSTIC INDICATOR FOR AUTOIMMUNE DISEASES ZEDIRA GMBH (DE) 2011-05-19 WO disclosed
EP-1326708-B1 ADSORBENT HAVING DIFFERENTLY MODIFIED SURFACE AREAS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FRESENIUS MEDICAL CARE DE GMBH (DE) 2006-07-05 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-20120315262-A1 STABILIZED OPEN FORM TRANSGLUTAMINASE AS A DIAGNOSTIC INDICTOR FOR AUTOIMMUNE DISEASES TGM2, TGM3, TGM6 CYP1A2 4594/4885CYP2C9 4417/4885ALDH1A1 3807/4885

“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.