SCHEMBL9103498

SCHEMBL9103498

CCCCCCCCc1ccc2c(c1)C(=O)c1nc3cc(N4CCN(C)CC4)ccc3c(=O)n1-2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 14/20 0.58
IDO2 Q6ZQW0 14/20 0.58
IDO1 P14902 13/20 0.58
APAF1 O14727 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR1 P21453 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TRPV4 Q9HBA0 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
SCHEMBL9101610 0.82 IDO1 (0.56) TDO2IDO2IDO1APAF1MEN1
SCHEMBL5618397 0.81 IDO1 (0.66) TDO2IDO2IDO1APAF1MEN1
SCHEMBL9104036 0.81 IDO1 (0.85) TDO2IDO2IDO1APAF1MEN1
SCHEMBL9104793 0.81 TDO2 (0.64) TDO2IDO2IDO1APAF1MEN1
SCHEMBL9103697 0.81 TDO2 (0.58) TDO2IDO2IDO1APAF1MEN1
SCHEMBL9885867 0.80 IDO1 (0.37) TDO2IDO2IDO1S1PR1KDM4E
SCHEMBL12289977 0.76 IDO1 (0.51) TDO2IDO2IDO1APAF1MEN1
SCHEMBL9236633 0.76 IDO1 (0.43) TDO2IDO2IDO1APAF1MEN1
SCHEMBL17830806 0.75 TDO2 (0.81) TDO2IDO2IDO1APAF1MEN1
SCHEMBL12290014 0.74 APAF1 (0.59) TDO2IDO2IDO1APAF1MEN1

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 5 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
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 TDO2 66/4885IDO2 19/4885IDO1 20/4885

“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.