SCHEMBL12422159

SCHEMBL12422159

Cc1ccc2nc(-c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.53
TP53 P04637 1/20 0.51
MAPT P10636 9/20 0.50
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
KDM4E B2RXH2 6/20 0.50
GAA P10253 5/20 0.50
GLA P06280 4/20 0.50
RORC P51449 4/20 0.48
SNCA P37840 1/20 0.48
ALDH1A1 P00352 8/20 0.47
HPGD P15428 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
HSP90AA1 P07900 1/20 0.46
LMNA P02545 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44

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
SCHEMBL1986918 0.86 APP (0.56) APPRAB9AGAAGLAMEN1
SCHEMBL12421999 0.84 TP53 (0.60) APPTP53MAPTNPC1RAB9A
SCHEMBL12422176 0.81 MAPT (0.51) APPTP53MAPTNPC1RAB9A
SCHEMBL2941960 0.80 APP (0.59) APPTP53MAPTNPC1RAB9A
SCHEMBL12422170 0.80 APP (0.63) APPTP53MAPTNPC1RAB9A
SCHEMBL11973313 0.80 DYRK1A (0.46) APPTP53MAPTNPC1RAB9A
SCHEMBL2628245 0.78 RORC (0.68) APPTP53MAPTNPC1RAB9A
SCHEMBL10311768 0.78 RORC (0.71) APPTP53MAPTNPC1RAB9A
SCHEMBL2948825 0.77 APP (0.55) APPTP53MAPTNPC1RAB9A
SCHEMBL6119720 0.75 CYP3A4 (0.60) TP53MAPTRAB9AGLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 APP 17/4885TP53 94/4885MAPT 1/4885

“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.