SCHEMBL15840576

SCHEMBL15840576

CC(C)(O)c1c(N)cnc2cccc(F)c12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
TNF P01375 3/20 0.33
ACHE P22303 1/20 0.33
KCNH2 Q12809 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL17278409 0.83 PARP1 (0.39) PARP1TNKSTNKS2CYP11B1CYP11B2
SCHEMBL15840579 0.79 TNF (0.36) TNF
SCHEMBL15840573 0.78 ALOX5AP (0.31)
SCHEMBL15819804 0.77 TNF (0.34) TNF
SCHEMBL15840577 0.74 NCF1 (0.43) ACHEKCNH2HSP90AB1
SCHEMBL15840575 0.74 CNR2 (0.34) TNF
SCHEMBL17301337 0.72 PDPK1 (0.33) TNF
SCHEMBL10669681 0.70 CES2 (0.40) PARP1TNKSTNKS2CYP11B1CYP11B2
SCHEMBL15840581 0.70 NR4A2 (0.34)
SCHEMBL22304446 0.69 ACHE (0.46) PARP1ACHE

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192372-A1 METHODS OF TREATING SJÖGREN-LARSSEN SYNDROME ALDEYRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
US-11771664-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2023-10-03 US disclosed
US-11771664-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2023-10-03 US disclosed
US-20230293527-A1 TREATMENT OF INFLAMMATORY DISORDERS ALDEYRA THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230293527-A1 TREATMENT OF INFLAMMATORY DISORDERS ALDEYRA THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230248727-A1 TREATMENT OF INFLAMMATORY DISORDERS ALDEYRA THERAPEUTICS, INC. 2023-08-10 US disclosed
US-20230248727-A1 TREATMENT OF INFLAMMATORY DISORDERS ALDEYRA THERAPEUTICS, INC. 2023-08-10 US disclosed
US-11701331-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2023-07-18 US disclosed
US-11701331-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2023-07-18 US disclosed
US-20230149383-A1 QUINOLINE COMPOUNDS FOR TREATING LUNG, LIVER, AND KIDNEY DISEASES, DISORDERS, OR CONDITIONS ALDEYRA THERAPEUTICS, INC. 2023-05-18 US disclosed
US-9687481-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2017-06-27 US disclosed
US-9687481-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2017-06-27 US disclosed
US-9604997-B2 Peri-carbinols ALDEYRA THERAPEUTICS, INC. (US) 2017-03-28 US disclosed
US-9604997-B2 Peri-carbinols ALDEYRA THERAPEUTICS, INC. (US) 2017-03-28 US disclosed
US-20150344432-A1 PERI-CARBINOLS Ricerca Biosciences, LLC 2015-12-03 US disclosed
US-20150344432-A1 PERI-CARBINOLS Ricerca Biosciences, LLC 2015-12-03 US disclosed
US-20150335632-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDEYRA THERAPEUTICS, INC. (F/K/A ALDEXA THERAPEUTICS, INC. F/K/A NEURON SYSTEMS, INC.) 2015-11-26 US disclosed
US-20150335632-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDEYRA THERAPEUTICS, INC. (F/K/A ALDEXA THERAPEUTICS, INC. F/K/A NEURON SYSTEMS, INC.) 2015-11-26 US disclosed
WO-2014116836-A2 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDEXA THERAPEUTICS, INC. (US) 2014-07-31 WO disclosed
WO-2014100425-A1 PERI-CARBINOLS ALDEXA THERAPEUTICS, INC. (US) 2014-06-26 WO 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 (7 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-20150344432-A1 PERI-CARBINOLS PLIN1, PLIN3, PLIN5 PARP1 365/4885TNKS 3135/4885TNKS2 2929/4885
US-20230293527-A1 TREATMENT OF INFLAMMATORY DISORDERS TNF, NFKBIA, LTB4R2 PARP1 3007/4885TNKS 2926/4885TNKS2 2602/4885
US-11771664-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 PARP1 301/4885TNKS 2762/4885TNKS2 3140/4885
US-11701331-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 PARP1 301/4885TNKS 2762/4885TNKS2 3140/4885
US-20230248727-A1 TREATMENT OF INFLAMMATORY DISORDERS TNF, NFKBIA, LTB4R2 PARP1 3007/4885TNKS 2926/4885TNKS2 2602/4885
US-20230149383-A1 QUINOLINE COMPOUNDS FOR TREATING LUNG, LIVER, AND KIDNEY DISEASES, DISORDERS, OR CONDITIONS GLS, PYGL, REN PARP1 3708/4885TNKS 4795/4885TNKS2 4747/4885
US-20150335632-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 PARP1 301/4885TNKS 2762/4885TNKS2 3140/4885

“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.