SCHEMBL6689338

SCHEMBL6689338

NNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KEAP1 Q14145 2/20 0.59
HTT P42858 2/20 0.59
POLB P06746 3/20 0.57
NFE2L2 Q16236 1/20 0.57
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.54
ADORA2A P29274 1/20 0.50

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
SCHEMBL6685365 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1KEAP1HTTPOLB
SCHEMBL11574848 0.83 ALDH1A1 (0.64) ALDH1A1L3MBTL1KEAP1HTTPOLB
SCHEMBL7164415 0.81 ALDH1A1 (0.89) ALDH1A1L3MBTL1KEAP1HTTPOLB
SCHEMBL13065512 0.81 MAOA (0.48) ALDH1A1L3MBTL1KEAP1HTTPOLB
SCHEMBL7121384 0.80 KEAP1 (0.86) ALDH1A1L3MBTL1KEAP1POLBNFE2L2
SCHEMBL8675450 0.80 ALDH1A1 (0.70) ALDH1A1L3MBTL1KEAP1HTTPOLB
SCHEMBL27360880 0.80 ALDH1A1 (0.75) ALDH1A1L3MBTL1KEAP1POLBNFE2L2
SCHEMBL27637350 0.79 KEAP1 (0.83) ALDH1A1L3MBTL1KEAP1POLBNFE2L2
SCHEMBL11180219 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1KEAP1HTTPOLB
Anthraquinone SCHEMBL8941397 0.78 ALDH1A1 (1.00) ALDH1A1L3MBTL1KEAP1POLBNFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6824998-B2 FOR DETERMINATION IN MAMMALS VIA 1-ANTHRAQUINONYLHYDRAZIDE WITH P-ANIALDEHYDE; DRUG SCREENING; PACKAGING; KITS UNIVERSITY OF IOWA RESEARCH FOUNDATION 2004-11-30 US disclosed
WO-2004083861-A1 COMPOUNDS AND METHODS FOR DETECTING TRIPEPTIDYL PROTEASE I UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2004-09-30 WO disclosed
US-20040185520-A1 Compounds and methods for detecting tripeptidyl protease I AKRION, INC. 2004-09-23 US disclosed
US-4927865-A CURABLE EPOXY RESINS CIBA-GEIGY CORPORATION (US) 1990-05-22 US disclosed
US-4855084-A PHOTOSENSITIVE COMPOSITIONS CIBA-GEIGY CORPORATION (US) 1989-08-08 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-20040185520-A1 Compounds and methods for detecting tripeptidyl protease I TPP1, DNPEP, TPP2 ALDH1A1 183/4885L3MBTL1 432/4885KEAP1 1157/4885

“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.