SCHEMBL1986906

SCHEMBL1986906

Cc1ccc2nc(-c3ccc(/C=C/c4cccc([N+](=O)[O-])c4)cc3)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.60
RORC P51449 4/20 0.53
CYP19A1 P11511 1/20 0.51
APP P05067 6/20 0.50
MAPT P10636 6/20 0.50
KDM4E B2RXH2 4/20 0.50
GLA P06280 4/20 0.50
GAA P10253 4/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
SNCA P37840 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47

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
SCHEMBL1986908 1.00 NFE2L2 (0.60) NFE2L2RORCCYP19A1APPMAPT
SCHEMBL1983034 0.90 RORC (0.63) RORCAPPMAPTKDM4EGLA
SCHEMBL1983033 0.90 RORC (0.63) RORCAPPMAPTKDM4EGLA
SCHEMBL1983633 0.87 NFE2L2 (0.63) NFE2L2CYP19A1APPMAPTGLA
SCHEMBL1983632 0.87 NFE2L2 (0.63) NFE2L2CYP19A1APPMAPTGLA
SCHEMBL1983364 0.85 MAPT (0.50) RORCCYP19A1APPMAPTKDM4E
SCHEMBL1983365 0.85 MAPT (0.50) RORCCYP19A1APPMAPTKDM4E
SCHEMBL1987260 0.83 MAPT (0.63) RORCAPPMAPTKDM4EGLA
SCHEMBL2195913 0.83 MAPT (0.63) RORCAPPMAPTKDM4EGLA
SCHEMBL10311768 0.83 RORC (0.71) RORCAPPMAPTKDM4EGLA

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 12 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
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
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US 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 NFE2L2 3064/4885RORC 2615/4885CYP19A1 4837/4885

“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.