SCHEMBL9101007

SCHEMBL9101007

CC(=O)OCC1OC(OC/C=C/c2ccc3nc4n(c(=O)c3c2)-c2ccc(Cl)cc2C4=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.47
TDO2 P48775 3/20 0.47
APAF1 O14727 1/20 0.41
CA12 O43570 8/20 0.39
CA9 Q16790 8/20 0.39
CA2 P00918 7/20 0.39
CA1 P00915 7/20 0.39
CA4 P22748 4/20 0.39
CA6 P23280 4/20 0.39
CA5A P35218 4/20 0.39
CA7 P43166 4/20 0.39
CA13 Q8N1Q1 4/20 0.39
CA14 Q9ULX7 4/20 0.39
CA5B Q9Y2D0 4/20 0.39
PRKCA P17252 1/20 0.37
AKT1 P31749 1/20 0.37
PTK2 Q05397 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL12689573 0.92 IDO1 (0.46) IDO1TDO2APAF1
SCHEMBL9103291 0.77 IDO1 (0.54) IDO1TDO2APAF1
SCHEMBL9103281 0.77 IDO1 (0.54) IDO1TDO2APAF1
SCHEMBL10938753 0.72 TSHR (0.58) CA12CA9CA2CA1CA4
SCHEMBL10938748 0.72 TSHR (0.58) CA12CA9CA2CA1CA4
SCHEMBL19788610 0.71 CA12 (0.44) CA12CA9CA2CA1CA4
SCHEMBL12325804 0.65 APAF1 (0.73) IDO1TDO2APAF1MAPT
SCHEMBL13342994 0.63 CYP3A4 (0.55) CA12CA9CA2CA1CYP3A4
SCHEMBL13163813 0.63 CYP2D6 (0.57) CA12CA9CA2CA1CA4
SCHEMBL19861393 0.63 CA12 (0.59) CA12CA9CA2CA1CA4

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 4 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 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

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-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION TPSG1, TPSB2, TPSAB1 IDO1 20/4885TDO2 66/4885APAF1 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.