SCHEMBL9106687

SCHEMBL9106687

CCCCCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1nc3c(OC)cccc3c(=O)n1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
HTR1A P08908 5/20 0.41
ADRA2A P08913 4/20 0.41
DRD2 P14416 4/20 0.41
ALDH1A1 P00352 2/20 0.41
IDO1 P14902 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE5A O76074 2/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
BRD4 O60885 1/20 0.39
CYP19A1 P11511 1/20 0.39
GAA P10253 1/20 0.39
HTR7 P34969 3/20 0.39
HTR2A P28223 2/20 0.39

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
SCHEMBL4593653 0.82 IDO1 (0.59) LMNAMAPK1HTTIDO1PDE5A
SCHEMBL9104847 0.78 IDO1 (0.42) IDO1TDO2IDO2MEN1APAF1
SCHEMBL9104830 0.78 IDO1 (0.42) IDO1TDO2IDO2MEN1APAF1
SCHEMBL9105134 0.76 IDO1 (0.63) IDO1TDO2IDO2MEN1APAF1
SCHEMBL5619364 0.75 IDO1 (0.51) LMNAHTTIDO1TDO2IDO2
SCHEMBL9101513 0.75 IDO1 (0.39) LMNAALDH1A1IDO1KDM4EHPGD
SCHEMBL4585171 0.74 IDO1 (0.44) ALDH1A1IDO1TP53BRD4TDO2
SCHEMBL9106875 0.74 IDO1 (0.59) LMNAMAPK1HTTALDH1A1IDO1
SCHEMBL9103102 0.73 IDO1 (0.48) LMNAHTTIDO1TDO2IDO2
SCHEMBL11904211 0.73 IDO1 (0.49) IDO1TDO2IDO2MEN1APAF1

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 7 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
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 (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 LMNA 4211/4885MAPK1 3085/4885HTT 1127/4885

“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.