SCHEMBL1983196

SCHEMBL1983196

Cc1ccc2nc(-c3ccc(C=Cc4ccc([N+](=O)[O-])cc4)cc3)cn2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.72
NPC1 O15118 13/20 0.72
ALDH1A1 P00352 9/20 0.72
SMN1; SMN2 Q16637 8/20 0.72
GAA P10253 2/20 0.72
LMNA P02545 2/20 0.72
POLB P06746 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
STAT3 P40763 1/20 0.72
CASP3 P42574 1/20 0.72
SENP7 Q9BQF6 1/20 0.72
SENP6 Q9GZR1 1/20 0.72
APP P05067 3/20 0.59
KDM4E B2RXH2 8/20 0.58
KMT2A Q03164 6/20 0.58
MEN1 O00255 3/20 0.58
PAX8 Q06710 2/20 0.58
MITF O75030 1/20 0.58
KDM5A P29375 1/20 0.58
KDM5C P41229 1/20 0.58

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
SCHEMBL2193986 1.00 RAB9A (0.72) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL1984138 0.92 RAB9A (0.84) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL12422082 0.89 RAB9A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL2194990 0.85 RAB9A (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL2194986 0.85 RAB9A (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL9788664 0.84 RAB9A (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL10172979 0.82 RAB9A (0.86) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL1984672 0.82 RAB9A (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL1984676 0.82 RAB9A (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL1985017 0.81 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2GAA

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 5 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
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 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

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 RAB9A 2622/4885NPC1 1265/4885ALDH1A1 2058/4885

“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.