SCHEMBL2196123

SCHEMBL2196123

COc1ccc2nc(-c3ccc(NC(=O)c4ccc(O)c([N+](=O)[O-])c4)cc3)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.57
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
APP P05067 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
HTT P42858 1/20 0.51
MGAM O43451 2/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
AURKB Q96GD4 1/20 0.48

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
SCHEMBL2000049 0.93 SCD (0.59) SCDRAB9ANPC1APPMEN1
SCHEMBL2195831 0.90 SCD (0.56) SCDRAB9ANPC1APPMEN1
SCHEMBL2193132 0.90 SCD (0.56) SCDRAB9ANPC1APPMEN1
SCHEMBL1999194 0.90 MAPT (0.64) SCDRAB9ANPC1APPMEN1
SCHEMBL2192766 0.90 SCD (0.56) SCDRAB9ANPC1APPMEN1
SCHEMBL2195686 0.89 SCD (0.54) SCDRAB9ANPC1APPMEN1
SCHEMBL13392242 0.89 SCD (0.54) SCDRAB9ANPC1APPMEN1
SCHEMBL12421983 0.88 MAPT (0.61) RAB9ANPC1APPMEN1KMT2A
SCHEMBL2191248 0.88 SCD (0.54) SCDRAB9ANPC1APPMEN1
SCHEMBL2191756 0.87 SCD (0.72) SCDRAB9ANPC1APPMEN1

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-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
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US 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 SCD 4644/4885RAB9A 2622/4885NPC1 1265/4885

“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.