SCHEMBL2193602

SCHEMBL2193602

COc1ccc2nc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)sc2c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.74
RAB9A P51151 4/20 0.74
MEN1 O00255 4/20 0.74
MAPT P10636 6/20 0.56
TP53 P04637 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
BLM P54132 1/20 0.56
APP P05067 1/20 0.55
NPC1 O15118 3/20 0.54
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.52
POLB P06746 2/20 0.52
SCD O00767 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 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
SCHEMBL27846232 0.91 KMT2A (0.61) KMT2ARAB9AMEN1MAPTTP53
SCHEMBL27977367 0.90 SCD (0.61) KMT2ARAB9AMEN1MAPTSMN1; SMN2
SCHEMBL2193506 0.88 MAPT (0.68) KMT2ARAB9AMEN1MAPTTP53
SCHEMBL2000049 0.85 SCD (0.59) KMT2ARAB9AMEN1MAPTSMN1; SMN2
SCHEMBL2194467 0.85 MAPT (0.59) KMT2ARAB9AMEN1MAPTTP53
SCHEMBL2196123 0.84 SCD (0.57) KMT2ARAB9AMEN1MAPTAPP
SCHEMBL2191756 0.83 SCD (0.72) KMT2ARAB9AMEN1MAPTSMN1; SMN2
SCHEMBL2193021 0.83 MAPT (0.58) KMT2ARAB9AMEN1MAPTTP53
SCHEMBL2195831 0.83 SCD (0.56) KMT2ARAB9AMEN1MAPTTP53
SCHEMBL2193132 0.83 SCD (0.56) KMT2ARAB9AMEN1MAPTAPP

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 KMT2A 3452/4885RAB9A 2622/4885MEN1 3205/4885

“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.