SCHEMBL15216491

SCHEMBL15216491

Cc1ccc(/C=[N+](\[O-])C(C)(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2A6 P11509 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 2/20 0.37
NFE2L2 Q16236 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL28552488 1.00 FBP1 (0.44) FBP1TDP1HSD17B10TSHRALDH1A1
SCHEMBL4712004 0.81 TDP1 (0.43) FBP1TDP1HSD17B10TSHRALDH1A1
SCHEMBL14993056 0.81 TDP1 (0.43) FBP1TDP1HSD17B10TSHRALDH1A1
SCHEMBL14993055 0.81 TDP1 (0.43) FBP1TDP1HSD17B10TSHRALDH1A1
SCHEMBL729012 0.81 TDP1 (0.40) TDP1HSD17B10TSHRALDH1A1GAA
SCHEMBL17334524 0.81 ALDH1A1 (0.46) TDP1HSD17B10TSHRALDH1A1GAA
SCHEMBL15216499 0.81 ALDH1A1 (0.46) FBP1TDP1HSD17B10TSHRALDH1A1
SCHEMBL8039808 0.81 ALDH1A1 (0.46) FBP1TDP1HSD17B10TSHRALDH1A1
SCHEMBL15216500 0.81 ALDH1A1 (0.48) FBP1TDP1HSD17B10TSHRALDH1A1
SCHEMBL6935466 0.81 GAA (0.55) TDP1HSD17B10TSHRALDH1A1CYP2A6

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 FBP1 668/4885TDP1 588/4885HSD17B10 225/4885

“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.