SCHEMBL2993675

SCHEMBL2993675

CN(C)C(CCOc1ccnc2cc([N+](=O)[O-])ccc12)OC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
MAPK1 P28482 4/20 0.40
HTT P42858 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
PDGFRA P16234 1/20 0.35
KDR P35968 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RECQL P46063 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL2993671 0.79 EGFR (0.42) MAPTMAPK1HTTALDH1A1GAA
SCHEMBL2990677 0.74 MAPT (0.46) MAPTMAPK1HTTALDH1A1GAA
SCHEMBL14923429 0.70 HTT (0.57) MAPTMAPK1HTTALDH1A1GAA
SCHEMBL30122640 0.68 EGFR (0.40) MAPTMAPK1HTTALDH1A1GAA
SCHEMBL4910411 0.63 GPR35 (0.49) MAPTMAPK1HTTALDH1A1GAA
SCHEMBL20595200 0.63 GAK (0.40) KDR
SCHEMBL12004095 0.62 HSPB1 (0.46) MAPTMAPK1HTTALDH1A1GAA
Trifluoroacetic Acid SCHEMBL29197536 0.62 ALDH1A1 (0.37) MAPTHTTALDH1A1GAASMN1; SMN2
SCHEMBL30918557 0.62 ALDH1A1 (0.47) MAPTMAPK1ALDH1A1POLBMEN1
SCHEMBL12004509 0.61 PDGFRA (0.57) MAPTHTTMEN1KMT2APDGFRA

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-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds AUCKLAND UNISERVICES LIMITED 2010-07-08 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-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds BLVRB, POR, CBR3 MAPT 3792/4885MAPK1 4517/4885HTT 3354/4885

“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.