SCHEMBL4586111

SCHEMBL4586111

O=C1Nc2ccc(F)c(F)c2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 9/20 0.52
TGM2 P21980 5/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
DUSP3 P51452 1/20 0.41
BLM P54132 1/20 0.41
PTPN5 P54829 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN11 Q06124 1/20 0.41
MCL1 Q07820 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
CDK2 P24941 3/20 0.39
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL2372330 0.82 CES1 (0.67) CES1TGM2MEN1POLBMAPT
SCHEMBL29700081 0.82 CES1 (0.47) CES1TGM2MEN1POLBMAPT
SCHEMBL15353216 0.82 CES1 (0.47) CES1TGM2MEN1POLBMAPT
SCHEMBL29700199 0.82 CES1 (0.47) CES1TGM2MEN1POLBMAPT
SCHEMBL29253561 0.79 CES1 (0.69) CES1TGM2MEN1POLBMAPT
SCHEMBL3531791 0.79 CES1 (0.48) CES1TGM2MEN1POLBMAPT
SCHEMBL31728330 0.79 CES1 (0.48) CES1TGM2MEN1POLBMAPT
SCHEMBL29699969 0.79 CES1 (0.44) CES1TGM2MEN1POLBMAPT
SCHEMBL29700102 0.77 ALDH1A1 (0.44) CES1TGM2MEN1POLBMAPT
SCHEMBL4242823 0.77 CES1 (0.60) CES1TGM2MEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235362-A1 INDOLINONE COMPOUNDS AS KCa3.1 POTASSIUM CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2025-11-13 WO disclosed
CN-114805353-B Synthesis of azatryptanthrin derivative and application of azatryptanthrin derivative in prevention and treatment of plant pathogenic bacteria, fungi bactericide and anti-plant virus preparation 贵州大学 2023-09-26 CN disclosed
CN-114805353-A Synthesis of azatryptanthrin derivative and application of azatryptanthrin derivative in prevention and treatment of plant pathogenic bacteria, fungi bactericide and anti-plant virus preparation 贵州大学 2022-07-29 CN disclosed
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-09-27 US disclosed
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-09-27 US disclosed
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-09-27 US disclosed
EP-1594524-B1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-08-15 EP disclosed
US-8193185-B2 Administering a tryptanthrin compound, e.g., 8-nitroindolo[2,1-b]quinazoline-6,12-dione, to potentiate the immune response to an antigen; immunostimulants; small molecule immune potentiators; immunotherapy for infectious diseases; anticarcinogenic agents; vaccine adjuvant compositions and kits NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-05 US disclosed
US-8193185-B2 Administering a tryptanthrin compound, e.g., 8-nitroindolo[2,1-b]quinazoline-6,12-dione, to potentiate the immune response to an antigen; immunostimulants; small molecule immune potentiators; immunotherapy for infectious diseases; anticarcinogenic agents; vaccine adjuvant compositions and kits NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-05 US disclosed
US-8193185-B2 Administering a tryptanthrin compound, e.g., 8-nitroindolo[2,1-b]quinazoline-6,12-dione, to potentiate the immune response to an antigen; immunostimulants; small molecule immune potentiators; immunotherapy for infectious diseases; anticarcinogenic agents; vaccine adjuvant compositions and kits NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-05 US disclosed
EP-1594524-A4 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-09-03 EP disclosed
EP-1594524-A2 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION CHIRON CORPORATION (US) 2005-11-16 EP disclosed
US-20040241192-A1 Use of tryptanthrin compounds for immune potentiation CHIRON CORPORATION (US) 2004-12-02 US disclosed
WO-2004064759-A2 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION CHIRON CORPORATION (US) 2004-08-05 WO disclosed
US-5441955-A Tuberculosis PATHOGENESIS CORPORATION (US) 1995-08-15 US disclosed
WO-1995013807-A1 INDOLO[2,1-b]QUINAZOLINE-6,12-DIONE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1995-05-26 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 (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-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION TPSG1, TPSB2, TPSAB1 CES1 4295/4885TGM2 1280/4885MEN1 411/4885
US-20040241192-A1 Use of tryptanthrin compounds for immune potentiation TPSG1, TPSB2, TPSAB1 CES1 4295/4885TGM2 1280/4885MEN1 411/4885

“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.