SCHEMBL12883281

SCHEMBL12883281

COc1ccc(C(C)CC(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
ALOX5 P09917 2/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
PARP10 Q53GL7 2/20 0.48
PARP1 P09874 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
AOC3 Q16853 2/20 0.45
FFAR1 O14842 1/20 0.44
ABCB11 O95342 1/20 0.44

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
SCHEMBL12883311 0.87 FFAR1 (0.48) TNFL3MBTL1PARP10PARP4KMT2A
SCHEMBL988779 0.85 ABCB11 (0.65) L3MBTL1ALOX5MAPTABCB11
SCHEMBL12836544 0.85 ABCB11 (0.65) L3MBTL1ALOX5MAPTABCB11
SCHEMBL17761206 0.85 ABCB11 (0.65) L3MBTL1ALOX5MAPTABCB11
SCHEMBL12836519 0.84 PARP10 (0.56) PARP10MEN1KMT2AGAAHTT
SCHEMBL11071292 0.84 L3MBTL1 (0.61) TNFL3MBTL1ALOX5CA1CA2
SCHEMBL17754960 0.84 RAB9A (0.51) L3MBTL1MEN1KMT2ARAB9AGAA
SCHEMBL2207966 0.84 FFAR1 (0.56) L3MBTL1KMT2AHTTALDH1A1FFAR1
SCHEMBL27702953 0.84 TNF (0.55) TNFL3MBTL1ALOX5CA1CA2
SCHEMBL12883244 0.83 MEN1 (0.61) TNFL3MBTL1ALOX5CA1CA2

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
WO-2023165263-A1 PYRROLOTRIAZINONE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海科技大学 2023-09-07 WO disclosed
US-9212155-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2015-12-15 US disclosed
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2011-02-24 US disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 US disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 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 (2 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-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GAP43, CHRNA10, CHRNA6 TNF 1408/4885L3MBTL1 2159/4885ALOX5 2184/4885
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS CHRNA10, CHRNA6, GAP43 TNF 1860/4885L3MBTL1 2454/4885ALOX5 2519/4885

“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.