SCHEMBL118682

SCHEMBL118682

CNc1cc(-c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.45
AKR1C4 P17516 2/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
AKR1C1 Q04828 2/20 0.45
APP P05067 2/20 0.44
SCN2A Q99250 1/20 0.44
MAPK1 P28482 1/20 0.43
MAPT P10636 5/20 0.43
KIF11 P52732 3/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
FBP1 P09467 1/20 0.41
POLB P06746 1/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40

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
SCHEMBL5525981 0.87 KIF11 (0.53) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL117562 0.84 AKR1B1 (0.56) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL27570003 0.83 SCN2A (0.49) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL117366 0.80 PTGES (0.51) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29878635 0.79 GPR35 (0.46) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28736372 0.77 L3MBTL1 (0.51) SCN2AMAPK1MAPTKMT2AALDH1A1
SCHEMBL116971 0.75 MAPK1 (0.65) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28220649 0.75 SCN2A (0.64) SCN2AMAPTKIF11KMT2AFBP1
SCHEMBL27625847 0.74 MAPT (0.49) APPMAPK1MAPTKMT2AALDH1A1
SCHEMBL5529181 0.73 MAPT (0.50) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
EP-2424866-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 EP disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP AKR1B1 1550/4885AKR1C4 2443/4885AKR1C3 1899/4885

“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.