SCHEMBL15216488

SCHEMBL15216488

CCc1cccc(/C=[N+](\[O-])C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HDAC4 P56524 1/20 0.34
MEF2D Q14814 1/20 0.34
TP53 P04637 1/20 0.33
IDO1 P14902 1/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KIF11 P52732 2/20 0.33
MGLL Q99685 1/20 0.33
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
BCL2 P10415 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31

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
SCHEMBL15216492 0.79 GAA (0.42) ALDH1A1KMT2ATDP1TP53GAA
SCHEMBL15216487 0.77 FBP1 (0.50) ALDH1A1TDP1TP53MAPTCYP1A2
SCHEMBL28566965 0.77 FBP1 (0.50) ALDH1A1TDP1TP53MAPTCYP1A2
SCHEMBL20973072 0.77 ALDH1A1 (0.37) ALDH1A1KMT2ATDP1HDAC4MEF2D
SCHEMBL21000183 0.77 ALDH1A1 (0.37) ALDH1A1KMT2ATDP1HDAC4MEF2D
SCHEMBL4711176 0.76 FBP1 (0.49) ALDH1A1KMT2ATDP1
SCHEMBL15216495 0.76 FBP1 (0.49) TDP1CYP1A2
SCHEMBL15216509 0.76 FBP1 (0.49) ALDH1A1KMT2ATDP1MAPTCYP1A2
SCHEMBL7922822 0.76 FBP1 (0.49) TDP1CYP1A2
SCHEMBL11408231 0.75 ALDH1A1 (0.59) ALDH1A1KMT2ATP53KIF11MAPT

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-20130225694-A1 COMPOSITIONS AND METHODS OF INHIBITING RETINAL DEGENERATION OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2013-08-29 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-20130225694-A1 COMPOSITIONS AND METHODS OF INHIBITING RETINAL DEGENERATION ALDH1A2, PDE6C, NQO1 ALDH1A1 283/4885KMT2A 4552/4885TDP1 588/4885

“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.