SCHEMBL1985960

SCHEMBL1985960

COc1ccc2nc(-c3ccc(/C=C/c4ccc([N+](=O)[O-])cc4)cc3)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.64
MAPT P10636 1/20 0.57
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
TLR9 Q9NR96 1/20 0.56
SCD O00767 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
SNCA P37840 1/20 0.53
SULT1A1 P50225 1/20 0.52

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
SCHEMBL1985963 1.00 APP (0.64) APPMAPTGLAGAATLR9
SCHEMBL1982639 0.93 APP (0.66) APPMAPTGLAGAASCD
SCHEMBL12509551 0.91 SCD (0.54) APPMAPTTLR9SCDMMP2
SCHEMBL13853571 0.91 APP (0.67) APPMAPTGLAGAASCD
SCHEMBL1983633 0.91 NFE2L2 (0.63) APPMAPTGLAGAASNCA
SCHEMBL1983632 0.91 NFE2L2 (0.63) APPMAPTGLAGAASNCA
SCHEMBL1985564 0.86 CYP19A1 (0.56) APPGLAGAASULT1A1
SCHEMBL1982767 0.86 CYP19A1 (0.56) APPGLAGAASULT1A1
SCHEMBL19243901 0.86 SULT1A1 (0.62) APPMAPTGLAGAAMMP2
SCHEMBL1986911 0.86 APP (0.53) APPGLAGAASNCASULT1A1

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
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
CN-102224423-B Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-10-22 CN disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
EP-2338059-A1 LIGANDS FOR AGGREGATED TAU MOLECULES Wista Laboratories Ltd. (SG) 2011-06-29 EP disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 WO disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 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 (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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 APP 17/4885MAPT 1/4885GLA 1532/4885

“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.