SCHEMBL12422151

SCHEMBL12422151

Cc1ccc2nc(-c3ccc(/C=C/c4ccc([N+](=O)[O-])cc4OCC[18F])cc3)cn2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.51
NPC1 O15118 13/20 0.51
SMN1; SMN2 Q16637 12/20 0.51
ALDH1A1 P00352 11/20 0.51
LMNA P02545 5/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
STAT3 P40763 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 9/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
APP P05067 3/20 0.43
KDM4E B2RXH2 6/20 0.41
PAX8 Q06710 2/20 0.41
MITF O75030 1/20 0.41
KDM5A P29375 1/20 0.41

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
SCHEMBL1985017 1.00 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1985015 1.00 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1984676 0.94 RAB9A (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1984672 0.94 RAB9A (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL12422411 0.88 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2194986 0.87 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2194990 0.87 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1999050 0.87 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1999051 0.87 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL12509493 0.86 RAB9A (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US 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 1265/4885SMN1; SMN2 1022/4885

“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.