SCHEMBL4593804

SCHEMBL4593804

O=C1c2cc(Cl)ccc2-n2c1nc1cc(N3CCOCC3)ccc1c2=O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 11/20 0.62
IDO2 Q6ZQW0 11/20 0.62
APAF1 O14727 2/20 0.61
IDO1 P14902 12/20 0.58
CYP3A4 P08684 1/20 0.48
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
HSP90AA1 P07900 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
PRKDC P78527 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
MAT2A P31153 1/20 0.43

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
SCHEMBL5620807 0.90 IDO1 (0.64) TDO2IDO2APAF1IDO1CYP3A4
SCHEMBL5618397 0.88 IDO1 (0.66) TDO2IDO2APAF1IDO1MEN1
SCHEMBL17830820 0.87 TDO2 (0.69) TDO2IDO2APAF1IDO1MEN1
SCHEMBL17830807 0.79 TDO2 (0.82) TDO2IDO2APAF1IDO1MEN1
SCHEMBL4586093 0.78 APAF1 (0.71) TDO2IDO2APAF1IDO1MEN1
SCHEMBL26858212 0.77 TDO2 (0.70) TDO2IDO2APAF1IDO1MEN1
SCHEMBL9100596 0.77 APAF1 (1.00) TDO2IDO2APAF1IDO1MEN1
SCHEMBL24513483 0.76 IDO1 (0.71) TDO2IDO2APAF1IDO1MEN1
SCHEMBL26614091 0.76 APAF1 (0.67) TDO2IDO2APAF1IDO1MEN1
SCHEMBL9104036 0.76 IDO1 (0.85) TDO2IDO2APAF1IDO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-09-27 US claimed
EP-1594524-B1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-08-15 EP claimed
EP-1594524-A4 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-09-03 EP claimed
EP-1594524-A2 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION CHIRON CORPORATION (US) 2005-11-16 EP claimed
US-20040241192-A1 Use of tryptanthrin compounds for immune potentiation CHIRON CORPORATION (US) 2004-12-02 US claimed
WO-2004064759-A2 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION CHIRON CORPORATION (US) 2004-08-05 WO claimed
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
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

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 TDO2 66/4885IDO2 19/4885APAF1 928/4885
US-20040241192-A1 Use of tryptanthrin compounds for immune potentiation TPSG1, TPSB2, TPSAB1 TDO2 66/4885IDO2 19/4885APAF1 928/4885

“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.